SCHEMBL7359446

SCHEMBL7359446

CC(CN1CC(=O)N(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(OCCN)cc3)cc2C1=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 15/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 2/20 0.40
TP53 P04637 1/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7355548 0.88 ITGB3 (0.41) P2RX3S1PR1S1PR3S1PR5TP53
SCHEMBL7359718 0.86 ITGB3 (0.41) HDAC1HDAC2HDAC8HDAC6
SCHEMBL7362408 0.85 CHRM5 (0.38) P2RX3
SCHEMBL7356570 0.85 ITGB3 (0.42) S1PR1S1PR3S1PR5
SCHEMBL7359437 0.85 PPARG (0.37) P2RX3TP53
SCHEMBL7359440 0.83 MAP4K4 (0.39) TP53
SCHEMBL7361488 0.81 HDAC1 (0.37) P2RX3TP53HDAC1HDAC2HDAC8
SCHEMBL7358618 0.80 MAPK1 (0.36) S1PR5
SCHEMBL7363899 0.80 F10 (0.36) P2RX3TP53HDAC1HDAC6
SCHEMBL7354080 0.80 ITGB3 (0.45) P2RX3

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 7 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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 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