SCHEMBL8634823

SCHEMBL8634823

NC(CCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.64
ANPEP P15144 3/20 0.55
S1PR2 O95136 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
GRIK1 P39086 1/20 0.49
MAOA P21397 2/20 0.48
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
ERAP1 Q9NZ08 2/20 0.47
ERAP2 Q6P179 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL11816141 0.92 S1PR2 (0.59) EPHX1ANPEPS1PR2S1PR4S1PR1
SCHEMBL4302698 0.89 EPHX1 (0.73) EPHX1ANPEPS1PR2S1PR4S1PR1
SCHEMBL20466361 0.89 EPHX1 (0.73) EPHX1ANPEPS1PR2S1PR4S1PR1
SCHEMBL4303544 0.89 EPHX1 (0.73) EPHX1ANPEPMAOASLC6A2TAAR1
SCHEMBL3266047 0.89 S1PR2 (0.59) EPHX1ANPEPS1PR2S1PR4S1PR1
Hydrochloric Acid SCHEMBL1979100 0.87 S1PR2 (0.57) EPHX1S1PR2S1PR4S1PR1S1PR3
SCHEMBL9182651 0.87 EPHX1 (0.70) EPHX1ANPEPS1PR2S1PR4S1PR1
SCHEMBL11769571 0.87 EPHX1 (0.70) EPHX1ANPEPMAOASLC6A2TAAR1
SCHEMBL28846521 0.85 SIGMAR1 (0.58) SLC6A4SIGMAR1
SCHEMBL902607 0.84 EPHX1 (0.80) EPHX1ANPEPMAOASLC6A2TAAR1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1793121-A Fused salt containing asymmetrical sulfonium cation, its preparation process and application in electrochemical device UNIV SHANGHAI JIAOTONG (CN) 2006-06-28 CN disclosed
CN-1072935-C Preparation method for medicinal composition containing aza-steroid compound for treating prostatic hyperplasia SANKYO CO (JP) 2001-10-17 CN disclosed
CN-1306011-A Polyaddition catalyst component, polyaddition catalyst and method for preparing addition polymer SUMITOMO CHEMICAL CO (JP) 2001-08-01 CN disclosed
CN-1053672-C Azasteroid compounds for the treatment of prostatic hypertrophy SANKYO CO (JP) 2000-06-21 CN disclosed
CN-1209319-A Preparation method for medicinal composition containing aza-steroid compound for treating prostatic hyperplasia SANKYO CO (JP) 1999-03-03 CN disclosed
CN-1195666-A Intermediates of steroids, their preparation and uses SANKYO CO (JP) 1998-10-14 CN disclosed
US-5760025-A ADMINISTERING TESTOSTERONE 5A-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-06-02 US disclosed
US-5717088-A REACTING WITH A CYANOPHOSPHATE IN THE PRESENCE OF AN ALKALI METAL CYANIDE SANKYO COMPANY, LIMITED (JP) 1998-02-10 US disclosed
US-5698720-A INTERMEDIATES FOR TESTOSTERONE 5-ALPHA-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1997-12-16 US disclosed
EP-0567271-B1 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO CO (JP) 1997-07-02 EP disclosed
EP-0725074-A2 Compounds suitable for use as intermediates in the preparation of Androst-3,5-dien-3-carboxy derivatives SANKYO COMPANY LIMITED (JP) 1996-08-07 EP disclosed
US-5536714-A Steroid derivatives for the treatment of prostatic hypertrophy their preparation and uses SANKYO COMPANY, LIMITED (JP) 1996-07-16 US disclosed
EP-0484094-B1 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO CO (JP) 1996-06-26 EP disclosed
US-5302621-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO COMPANY, LIMITED (JP) 1994-04-12 US disclosed
CN-1083070-A Steroid derivatives for the treatment of prostatic hypertrophy, process for their preparation and their use SANKYO CO (JP) 1994-03-02 CN disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
CN-1062145-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO CO (JP) 1992-06-24 CN disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 EP disclosed