SCHEMBL8581192

SCHEMBL8581192

CC([NH])CC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.50
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
ADRA1A P35348 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 2/20 0.50
CACNA1F O60840 1/20 0.50
ADRA2B P18089 1/20 0.50
CHRM3 P20309 1/20 0.50
OPRK1 P41145 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
TAAR1 Q96RJ0 5/20 0.44
HTR2A P28223 4/20 0.44
TRPA1 O75762 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 2/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL9493121 0.79 HRH1 (0.54) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL9838705 0.78 HTR2A (0.58) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL3864354 0.77 TRPA1 (0.61) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL7678158 0.75 TAAR1 (0.50) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL7737298 0.75 HRH1 (0.50) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL108142 0.75 CYP2C9 (0.50) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL7761093 0.75 HRH1 (0.50) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL5085704 0.73 HRH1 (0.48) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL6680300 0.73 HRH1 (0.48) HRH1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL9193778 0.73 HRH1 (0.48) HRH1CHRM2CHRM1ADRA1ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763053-A4 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORP (US) 1998-09-09 EP 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-0763053-A1 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 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
WO-1995033761-A1 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO 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
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP 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