SCHEMBL9536607

SCHEMBL9536607

Cc1c(OCc2nnnn2C(C)(C)C)ccc2c(=O)cc(N3CCOCC3)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 1.00

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
SCHEMBL9755590 0.86 P2RY12 (0.76) P2RY12
SCHEMBL8884055 0.85 P2RY12 (0.92) P2RY12
SCHEMBL8881934 0.84 P2RY12 (1.00) P2RY12
SCHEMBL8880793 0.84 P2RY12 (0.95) P2RY12
SCHEMBL7318025 0.83 P2RY12 (1.00) P2RY12
SCHEMBL7323069 0.79 P2RY12 (0.79) P2RY12
SCHEMBL7361296 0.79 P2RY12 (0.81) P2RY12
SCHEMBL9534939 0.79 P2RY12 (0.67) P2RY12
SCHEMBL7326740 0.78 P2RY12 (1.00) P2RY12
SCHEMBL7316746 0.78 P2RY12 (0.85) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019707-A2 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1991-12-26 WO claimed
EP-0525123-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. UPJOHN CO (US) 1993-02-03 EP disclosed
WO-1991019707-A2 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1991-12-26 WO disclosed