SCHEMBL6678503

SCHEMBL6678503

O[C@H](CCOc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.55
HTR1B P28222 9/20 0.54
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
NR2E1 Q9Y466 3/20 0.51
HTR1D P28221 2/20 0.50
SLC6A4 P31645 1/20 0.49
HRH1 P35367 1/20 0.49

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
SCHEMBL6675385 1.00 KCNA3 (0.55) KCNA3HTR1BKDM4EKMT2AMEN1
SCHEMBL9291677 1.00 KCNA3 (0.55) KCNA3HTR1BKDM4EKMT2AMEN1
SCHEMBL30600099 1.00 KCNA3 (0.55) KCNA3HTR1BKDM4EKMT2AMEN1
SCHEMBL30600096 1.00 KCNA3 (0.55) KCNA3HTR1BKDM4EKMT2AMEN1
SCHEMBL29376893 1.00 KCNA3 (0.55) KCNA3HTR1BKDM4EKMT2AMEN1
SCHEMBL28373893 0.91 KCNA3 (0.47) KCNA3HTR1BKDM4EKMT2AMEN1
SCHEMBL29610288 0.91 KCNA3 (0.47) KCNA3HTR1BKDM4EKMT2AMEN1
SCHEMBL28373895 0.91 KCNA3 (0.47) KCNA3HTR1BKDM4EKMT2AMEN1
SCHEMBL9292084 0.88 SLC6A4 (0.50) KCNA3HTR1BKDM4EKMT2AMEN1
SCHEMBL28331986 0.84 CYP1A2 (0.64) KCNA3HTR1BKDM4EKMT2AMEN1

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-116715593-A Optimized preparation method of dapoxetine hydrochloride and intermediate thereof 北京悦康科创医药科技股份有限公司 2023-09-08 CN claimed
CN-115340466-A Preparation method of dapoxetine hydrochloride impurity 江西天戌药业有限公司 2022-11-15 CN claimed
CN-113461553-A Synthesis method of dapoxetine and dapoxetine hydrochloride 上海科利生物医药有限公司 2021-10-01 CN claimed
CN-109503397-A A kind of synthetic method of Dapoxetine hydrochloride 华控创新(北京)药物研究院有限公司 2019-03-22 CN claimed
CN-105461573-A Preparation method of (S)-N-demethyl dapoxetine CHONGQING KANGLE PHARMACEUTICAL CO LTD 2016-04-06 CN claimed
US-5292962-A Intermediates to 1-phenyl-3-naphthalenyloxy-propanamines ELI LILLY AND COMPANY (US) 1994-03-08 US claimed
CN-116715593-A Optimized preparation method of dapoxetine hydrochloride and intermediate thereof 北京悦康科创医药科技股份有限公司 2023-09-08 CN disclosed
CN-115340466-A Preparation method of dapoxetine hydrochloride impurity 江西天戌药业有限公司 2022-11-15 CN disclosed
CN-115340466-A Preparation method of dapoxetine hydrochloride impurity 江西天戌药业有限公司 2022-11-15 CN disclosed
CN-113461553-A Synthesis method of dapoxetine and dapoxetine hydrochloride 上海科利生物医药有限公司 2021-10-01 CN disclosed
CN-113461553-A Synthesis method of dapoxetine and dapoxetine hydrochloride 上海科利生物医药有限公司 2021-10-01 CN disclosed
CN-107382751-B The preparation method of dapoxetine hydrochloride 瑞阳制药有限公司 2019-10-25 CN disclosed
CN-109503397-A A kind of synthetic method of Dapoxetine hydrochloride 华控创新(北京)药物研究院有限公司 2019-03-22 CN disclosed
CN-100591649-C Method of preparing R-(+)-3-chlorophenylpropanol TIANDU CHEN 2010-02-24 CN disclosed
CN-101012147-A Method of preparing R-(+)-3-chlorophenylpropanol CHEN TIANDU (CN) 2007-08-08 CN disclosed
US-6806378-B2 CATALYST SYSTEM AND A PROCESS FOR THE PREPARATION OF A NONRACEMIC CHIRAL ALCOHOL BY HYDROGENATION OF A KETONE USING THE CATALYST SYSTEM, WHEREIN THE CATALYST SYSTEM COMPRISES RUTHENIUM, A NONRACEMIC CHIRAL DIPHOSPHINE LIGAND, AN DSM N.V. (NL) 2004-10-19 US disclosed
EP-1465726-A1 PROCESS FOR PREPARING NONRACEMIC CHIRAL ALCOHOLS DSM IP Assets B.V. (NL) 2004-10-13 EP disclosed
US-20030171213-A1 Process for preparing nonracemic chiral alcohols DSM N.V. (NL) 2003-09-11 US disclosed
WO-2003061824-A1 PROCESS FOR PREPARING NONRACEMIC CHIRAL ALCOHOLS DSM IP ASSETS B.V. (NL) 2003-07-31 WO disclosed
US-5292962-A Intermediates to 1-phenyl-3-naphthalenyloxy-propanamines ELI LILLY AND COMPANY (US) 1994-03-08 US disclosed