SCHEMBL7333196

SCHEMBL7333196

Cc1cc(OCCCc2ccc3c(c2)C(=O)N(C(C)CC(=O)OC(=O)C(F)(F)F)CC(=O)N3C)nc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
NUDT1 P36639 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL7334478 0.92 RXRA (0.32) ITGB3ITGA2BNUDT1CYP1A2CYP2C19
Trifluoroacetic Acid SCHEMBL7333191 0.91 ITGB3 (0.45) ITGB3ITGA2BCYP1A2CYP2C19GABRA1
SCHEMBL7328314 0.91 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL7332354 0.90 ITGB3 (0.31) ITGB3ITGA2B
SCHEMBL7329669 0.89 PTGDR2 (0.32) ITGB3ITGA2B
SCHEMBL7330443 0.85 ITGB3 (0.46) ITGB3ITGA2BNUDT1CYP1A2CYP2C19
SCHEMBL7334599 0.84 RXRA (0.31)
SCHEMBL7331753 0.83 MDM2 (0.31)
Trifluoroacetic Acid SCHEMBL7334476 0.83 ITGB3 (0.37) ITGB3ITGA2BCYP1A2CYP2C19
SCHEMBL7328779 0.83 MEN1 (0.30)

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-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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed