SCHEMBL7362405

SCHEMBL7362405

CC(C)(C(=O)O)N1CC(=O)N(Cc2ccc(F)cc2F)c2ccc(-c3ccc(OCCN)cc3)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 4/20 0.43
MAOB P27338 1/20 0.33
KIT P10721 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
CHRM1 P11229 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
CYP3A4 P08684 1/20 0.32
PDE4B Q07343 1/20 0.32
KCNH2 Q12809 1/20 0.32
CPB2 Q96IY4 1/20 0.32
HTR2A P28223 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
KCNK3 O14649 2/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL7363494 0.88 CHRM5 (0.38) CHRM5EDNRBEDNRACPB2ALDH1A1
SCHEMBL7359440 0.84 MAP4K4 (0.39) CHRM5KCNH2CASP3CASP7
SCHEMBL7362403 0.84 CHRM5 (0.38) CHRM5MAOBHRH3CHRM1RARA
SCHEMBL7363380 0.84 ITGB3 (0.40) CHRM5HRH3CHRM1HTR2ACASP3
SCHEMBL7362408 0.83 CHRM5 (0.38) CHRM5MAOBHRH3CHRM1RARA
SCHEMBL7362910 0.83 CHRM5 (0.37) CHRM5MAOBHRH3CHRM1RARA
SCHEMBL7356563 0.82 ITGB3 (0.38) CHRM5HRH3RARARARBKCNH2
SCHEMBL7353724 0.81 ITGB3 (0.41) CHRM5EDNRBEDNRAHTR2A
SCHEMBL7357237 0.80 MAP3K5 (0.33) HRH3RARARARBKCNH2
SCHEMBL7361583 0.79 PPARG (0.33) CHRM5EDNRBEDNRACPB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed