SCHEMBL7362403

SCHEMBL7362403

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.38
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
KCNH2 Q12809 3/20 0.33
CYP3A4 P08684 2/20 0.33
PDE4B Q07343 2/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOB P27338 1/20 0.32
HTR2A P28223 3/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM1 P11229 1/20 0.32
CASP3 P42574 1/20 0.31

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
SCHEMBL7363490 0.88 ITGB3 (0.37) CHRM5EDNRBEDNRAALDH1A1HTR2A
SCHEMBL7362408 0.85 CHRM5 (0.38) CHRM5EDNRBEDNRARARARARB
SCHEMBL7359437 0.85 PPARG (0.37) CHRM5RARARARBALDH1A1
SCHEMBL7357027 0.84 ITGB3 (0.34) RARARARBALDH1A1
SCHEMBL7362405 0.84 CHRM5 (0.43) CHRM5EDNRBEDNRARARARARB
SCHEMBL7362910 0.83 CHRM5 (0.37) CHRM5RARARARBHRH3KCNH2
SCHEMBL7363380 0.83 ITGB3 (0.40) CHRM5HRH3HTR2ACHRM1CASP3
SCHEMBL7356558 0.82 ITGB3 (0.43) RARARARBHRH3ALDH1A1L3MBTL1
SCHEMBL7353720 0.81 ITGB3 (0.40) CHRM5EDNRBEDNRAALDH1A1HTR2A
SCHEMBL7357233 0.81 ITGB3 (0.35) RARARARBALDH1A1

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
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
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