SCHEMBL9755590

SCHEMBL9755590

Cc1c(OCc2nnnn2C(C)(C)C)ccc2c(=O)cc(CN3CCOCC3)oc12

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.76

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
SCHEMBL9536607 0.86 P2RY12 (1.00) P2RY12
SCHEMBL8881043 0.86 P2RY12 (0.70) P2RY12
SCHEMBL8882294 0.85 P2RY12 (0.77) P2RY12
SCHEMBL8883357 0.84 P2RY12 (0.73) P2RY12
SCHEMBL8881836 0.82 P2RY12 (0.57) P2RY12
SCHEMBL7326787 0.79 P2RY12 (0.72) P2RY12
SCHEMBL7319977 0.77 P2RY12 (0.75) P2RY12
SCHEMBL8881359 0.73 P2RY12 (0.55) P2RY12
SCHEMBL8886655 0.72 P2RY12 (0.45) P2RY12
SCHEMBL8884055 0.72 P2RY12 (0.92) 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 1 patent. 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