SCHEMBL8993396

SCHEMBL8993396

COc1cccc(Cc2ccc(CC#N)cc2OC)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
CNR1 P21554 3/20 0.48
GPR55 Q9Y2T6 3/20 0.46
DHFR P00374 1/20 0.43
ABCB1 P08183 3/20 0.43
IDH1 O75874 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CALM1 P0DP23 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41

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
SCHEMBL8993099 0.86 CNR2 (0.44) CNR2CNR1
SCHEMBL8992807 0.86 CNR2 (0.46) CNR2CNR1GPR55DHFRIDH1
SCHEMBL8992887 0.86 TUBB4A (0.44) CNR2IDH1
SCHEMBL27295522 0.84 MAOB (0.47) CNR2CNR1GPR55DHFRCHRM2
SCHEMBL101334 0.84 TAAR1 (0.55) CHRM2CHRM1CHRM3IDO1AGXT
SCHEMBL8992947 0.83 LTA4H (0.49) CHRM2CHRM1CHRM3IDO1AGXT
SCHEMBL8993377 0.82 CNR1 (0.49) CNR2CNR1GPR55DHFRABCB1
SCHEMBL8993322 0.80 CNR2 (0.45) CNR2GPR55
SCHEMBL8993391 0.80 CNR2 (0.44) CNR2CNR1GPR55MEN1KMT2A
SCHEMBL21328354 0.79 TTR (0.52) ABCB1ABCG2MEN1KMT2A

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