SCHEMBL8374276

SCHEMBL8374276

CN(C)c1cccc(CCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP4F2 P78329 2/20 0.46
▸ CYP4A11 Q02928 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ BCHE P06276 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ NOS1 P29475 1/20 0.40
▸ AOC3 Q16853 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7027687 0.95 CYP4F2 (0.50) ALDH1A1TSHRCYP4F2CYP4A11KMT2A
SCHEMBL15618416 0.93 BCHE (0.49) ALDH1A1TSHRCYP4F2CYP4A11KMT2A
SCHEMBL834162 0.89 ALDH1A1 (0.50) ALDH1A1TSHRCYP4F2CYP4A11KMT2A
SCHEMBL10356301 0.83 LPL (0.46) ALDH1A1TSHRKMT2AL3MBTL1CNR1
SCHEMBL6559558 0.82 BCHE (0.49) ALDH1A1TSHRCYP4F2CYP4A11KMT2A
SCHEMBL11404905 0.81 KMT2A (0.43) ALDH1A1TSHRKMT2AL3MBTL1CNR1
SCHEMBL27332 0.80 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AL3MBTL1CNR1
Hydrochloric Acid SCHEMBL6560552 0.80 KMT2A (0.42) ALDH1A1TSHRKMT2AL3MBTL1CNR1
SCHEMBL4593938 0.80 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AL3MBTL1CNR1
SCHEMBL241880 0.80 CYP4F2 (0.53) CYP4F2CYP4A11KMT2AALOX15NOS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880721-A Synthetic method of dapoxetine 湖南九典制药股份有限公司 2022-01-04 — — CN claimed
CN-107935868-A A kind of crystal form of 5 hydroxytryptamine reuptake inhibithors and preparation method thereof 广州白云山医药集团股份有限公司白云山制药总厂 2018-04-20 — — CN claimed
CN-106883133-A A kind of preparation method of dapoxetine hydrochloride 南京斯贝源医药科技有限公司 2017-06-23 — — CN claimed
CN-106748825-A A kind of synthesis of Dapoxetine hydrochloride, resolving and purifying and salifying method 聊城大学 2017-05-31 — — CN claimed
CN-113880721-A Synthetic method of dapoxetine 湖南九典制药股份有限公司 2022-01-04 — — CN disclosed
CN-113880721-A Synthetic method of dapoxetine 湖南九典制药股份有限公司 2022-01-04 — — CN disclosed
CN-106883133-B A kind of preparation method of dapoxetine hydrochloride 南京斯贝源医药科技有限公司 2019-12-03 — — CN disclosed
CN-107935868-A A kind of crystal form of 5 hydroxytryptamine reuptake inhibithors and preparation method thereof 广州白云山医药集团股份有限公司白云山制药总厂 2018-04-20 — — CN disclosed
CN-106883133-A A kind of preparation method of dapoxetine hydrochloride 南京斯贝源医药科技有限公司 2017-06-23 — — CN disclosed
CN-106748825-A A kind of synthesis of Dapoxetine hydrochloride, resolving and purifying and salifying method 聊城大学 2017-05-31 — — CN disclosed
CN-104610076-B A kind of S-dapoxetine and the synthetic method of salt thereof 湖南中医药大学 2016-11-23 — — CN disclosed
CN-103373931-B The industrialized process for preparing of a kind of dapoxetine and intermediate thereof CHONGQING PHARMACEUTICAL RESEARCH INSTITUTE CO., LTD. (CN) 2016-04-13 — — CN disclosed
WO-2014023258-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-02-13 — — WO disclosed
CN-103373931-A Industrial preparation method of apoxetine and intermediate of apoxetine CHONGQING PHARM RES INST CO 2013-10-30 — — CN disclosed
WO-2013024011-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 — — WO disclosed
CN-101875666-B Optical pure 1,3-alkamine compound as well as preparation method and application thereof in preparing Dapoxetine and analogues thereof ASTATECH CHENGDU PHARMACEUTICAL CO LTD 2011-12-28 — — CN disclosed
CN-101875666-A Optical pure 1,3-alkamine compound as well as preparation method and application thereof in preparing Dapoxetine and analogues thereof ASTATECH CHENGDU PHARMACEUTICAL CO LTD 2010-11-03 — — CN disclosed
WO-1999067196-A1 FLUOXETINE PROCESS FROM BENZOYLPROPIONIC ACID SEPRACOR INC. (US) 1999-12-29 — — WO disclosed
US-4970232-A CALCIUM CHANNEL BLOCKERS; ANOXIA, ANTIEPILEPTIC AND ANTIISCHEMIC AGENTS; HEADACHES A/S FERROSAN (DK) 1990-11-13 — — US disclosed
EP-0031910-A1 Aniline derivatives, pharmaceutical preparations containing them and processes for their production MERCK PATENT GmbH (DE) 1981-07-15 — — EP disclosed
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