SCHEMBL9755552

SCHEMBL9755552

COC(C)Oc1ccc2c(=O)cc(N3CCOCC3)oc2c1C

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.77

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
SCHEMBL7317674 0.87 P2RY12 (1.00) P2RY12
SCHEMBL8799538 0.85 P2RY12 (0.76) P2RY12
SCHEMBL7326132 0.84 P2RY12 (0.74) P2RY12
SCHEMBL9533682 0.81 P2RY12 (1.00) P2RY12
SCHEMBL7328459 0.81 P2RY12 (1.00) P2RY12
SCHEMBL13752243 0.80 P2RY12 (0.73) P2RY12
SCHEMBL7330293 0.79 P2RY12 (0.77) P2RY12
SCHEMBL8798535 0.79 P2RY12 (0.80) P2RY12
SCHEMBL8798292 0.79 P2RY12 (0.81) P2RY12
SCHEMBL7323997 0.79 P2RY12 (1.00) 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 2 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
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