SCHEMBL7331602

SCHEMBL7331602

O=C(CCc1ccccc1F)CCc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
CASP3 P42574 1/20 0.49
CASP7 P55210 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AOC3 Q16853 1/20 0.46
MAOB P27338 3/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP10 Q53GL7 1/20 0.45
IAPP P10997 1/20 0.44
MPO P05164 1/20 0.44
CNR1 P21554 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ADORA2B P29275 1/20 0.43
ACKR3 P25106 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43

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
SCHEMBL29444401 0.85 MEN1 (0.59) TAAR1CASP3CASP7ALDH1A1MEN1
SCHEMBL246473 0.85 MEN1 (0.59) TAAR1CASP3CASP7ALDH1A1MEN1
SCHEMBL6964948 0.85 TAAR1 (0.54) TAAR1CASP3CASP7ALDH1A1MEN1
SCHEMBL24242076 0.84 MAOB (0.44) TAAR1CASP3CASP7ALDH1A1MEN1
SCHEMBL8343080 0.84 TAAR1 (0.44) TAAR1CASP3CASP7ALDH1A1MEN1
SCHEMBL9220937 0.83 IAPP (0.55) TAAR1CASP3CASP7ALDH1A1MEN1
SCHEMBL2859015 0.83 TAAR1 (0.57) TAAR1CASP3CASP7ALDH1A1MEN1
SCHEMBL2527059 0.83 TAAR1 (0.52) TAAR1CASP3CASP7ALDH1A1MEN1
SCHEMBL30799043 0.83 TAAR1 (0.52) TAAR1CASP3CASP7ALDH1A1MEN1
SCHEMBL11549937 0.83 TAAR1 (0.52) TAAR1CASP3CASP7ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083686-B The method of alpha-brominated acetophenone oxime ether synthesis 2,4- diaryl pyrrole class compound 苏州大学 2019-01-22 CN claimed
CN-105801550-A Novel benzopyran kinase modulators 理森制药股份公司 2016-07-27 CN claimed
CN-105801550-B Novel chromene kinase modulator 理森制药股份公司 2019-06-14 CN disclosed
CN-109293652-A A kind of substituted thiazole and application thereof 四川科伦博泰生物医药股份有限公司 2019-02-01 CN disclosed
CN-106083686-B The method of alpha-brominated acetophenone oxime ether synthesis 2,4- diaryl pyrrole class compound 苏州大学 2019-01-22 CN disclosed
CN-105164134-B It is used as the imidazo-triazine derivative of PDE10 inhibitor 辉瑞大药厂 2017-09-22 CN disclosed
CN-106687136-A Combination alzheimer therapy using anti-N3PGLU ABETA antibodies + a BACE inhibitor 伊莱利利公司 2017-05-17 CN disclosed
CN-103923101-B Synthetic method of prasugrel 湖南方盛制药股份有限公司 2017-05-03 CN disclosed
CN-105801550-A Novel benzopyran kinase modulators 理森制药股份公司 2016-07-27 CN disclosed
CN-102812013-B Novel benzopyran kinase modulators RHIZEN PHARMACEUTICALS S.A. (CH) 2016-05-25 CN disclosed
CN-105503828-A Preparation method of fumarate of pyrrole derivatives BEIJING KANG LISHENG PHARMACEUTICAL TECH DEV CO LTD 2016-04-20 CN disclosed
CN-101268067-A Indol-3-yl-carbonyl-piperidine-benzimidazole derivatives as V1A receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-17 CN disclosed
CN-100389113-C Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2008-05-21 CN disclosed
CN-1630650-A Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2005-06-22 CN disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
CN-1128990-A N-substituted azaheterocyclic carboxylic acids and esters thereof NOVO NORDISK AS (DK) 1996-08-14 CN disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed