SCHEMBL7325480

SCHEMBL7325480

Cc1c(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc2c(=O)cc(N3CCOCC3)oc12

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.69
POLB P06746 1/20 0.62
PLEC Q15149 1/20 0.62
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL7325466 1.00 P2RY12 (0.69) P2RY12POLBPLECMEN1KMT2A
SCHEMBL7319599 0.87 P2RY12 (0.71) P2RY12
SCHEMBL7320365 0.82 P2RY12 (1.00) P2RY12
SCHEMBL7326740 0.81 P2RY12 (1.00) P2RY12
SCHEMBL7323997 0.81 P2RY12 (1.00) P2RY12
SCHEMBL7326711 0.80 P2RY12 (1.00) P2RY12
SCHEMBL7328869 0.80 P2RY12 (0.81) P2RY12
SCHEMBL7327848 0.80 P2RY12 (0.83) P2RY12
SCHEMBL8883024 0.79 P2RY12 (0.63) P2RY12
SCHEMBL8883040 0.79 P2RY12 (0.63) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP claimed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 WO claimed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP disclosed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 WO disclosed