SCHEMBL8631737

SCHEMBL8631737

CC(C)([N]Cc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 1/20 0.43
MIF P14174 1/20 0.43
HPGD P15428 1/20 0.43
TAAR1 Q96RJ0 4/20 0.40
SLC6A2 P23975 3/20 0.40
NOS2 P35228 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.36
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL2776888 0.79 CYP3A4 (0.48) CYP3A4ALDH1A1TRPA1MIFHPGD
SCHEMBL11750270 0.75 MIF (0.46) CYP3A4ALDH1A1TRPA1MIFHPGD
SCHEMBL1852585 0.72 CYP3A4 (0.46) CYP3A4ALDH1A1TRPA1MIFHPGD
SCHEMBL10613656 0.71 TAAR1 (0.42) CYP3A4ALDH1A1TAAR1CYP2C19MAPK1
SCHEMBL3281006 0.71 KCNN4 (0.48) CYP3A4ALDH1A1TAAR1CYP2C19MAPK1
SCHEMBL3447537 0.71 MAPK1 (0.48) CYP3A4ALDH1A1TAAR1CYP2C19MAPK1
SCHEMBL3447538 0.71 MAPK1 (0.48) CYP3A4ALDH1A1TAAR1CYP2C19MAPK1
SCHEMBL5548041 0.70 ALDH1A1 (0.43) CYP3A4ALDH1A1TRPA1MIFHPGD
SCHEMBL246162 0.67 ALDH1A1 (0.46) CYP3A4ALDH1A1TAAR1CYP2C19MAPK1
SCHEMBL8198683 0.67 MAPK1 (0.44) CYP3A4ALDH1A1TAAR1CYP2C19MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5536714-A Steroid derivatives for the treatment of prostatic hypertrophy their preparation and uses SANKYO COMPANY, LIMITED (JP) 1996-07-16 US 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