SCHEMBL8992807

SCHEMBL8992807

COc1cccc(Cc2ccc(CC#N)cc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
IDH1 O75874 2/20 0.44
GPR55 Q9Y2T6 2/20 0.44
CNR1 P21554 2/20 0.43
DHFR P00374 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL8993396 0.86 CNR2 (0.48) CNR2IDH1GPR55CNR1DHFR
SCHEMBL27295522 0.84 MAOB (0.47) CNR2GPR55CNR1DHFRCHRM2
SCHEMBL101334 0.84 TAAR1 (0.55) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL8992798 0.83 ENPP2 (0.41) CNR2CNR1TAAR1IDO1
SCHEMBL8992947 0.83 LTA4H (0.49) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL8993136 0.82 CNR2 (0.46) CNR2IDH1GPR55CNR1DHFR
SCHEMBL8993225 0.82 IDH1 (0.47) CNR2IDH1GPR55CNR1DHFR
SCHEMBL5648684 0.80 CNR2 (0.52) CNR2IDH1GPR55CNR1DHFR
SCHEMBL8784075 0.78 TAAR1 (0.49) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL5646180 0.77 ANO1 (0.50) CNR2IDH1GPR55CNR1DHFR

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