SCHEMBL8993391

SCHEMBL8993391

COc1cc(CC#N)ccc1Cc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.44
GPR55 Q9Y2T6 4/20 0.43
CNR1 P21554 2/20 0.43
HTR7 P34969 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8993322 0.84 CNR2 (0.45) CNR2GPR55GAAMAPTTSHR
SCHEMBL8993099 0.82 CNR2 (0.44) CNR2CNR1TSHRLMNA
SCHEMBL8992888 0.81 MEN1 (0.44) CNR2GPR55CNR1GAAMAPT
SCHEMBL8993260 0.81 TTR (0.50) CNR2GPR55CNR1GAAMAPT
SCHEMBL8992887 0.81 TUBB4A (0.44) CNR2GAAMAPTTSHRMAPK1
SCHEMBL8993396 0.80 CNR2 (0.48) CNR2GPR55CNR1MEN1KMT2A
SCHEMBL8992952 0.79 NPC1 (0.50) HTR7GAAMAPTTSHRNPC1
SCHEMBL8993373 0.78 LTA4H (0.43) MAPTTSHRMEN1LMNAKMT2A
SCHEMBL22800044 0.77 CA2 (0.52) CNR2GAAMAPTTSHRMAPK1
SCHEMBL1008180 0.77 HTR7 (0.43) HTR7GAAMAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed