SCHEMBL8798965

SCHEMBL8798965

CCN(CCO)CCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C

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
SCHEMBL7325018 0.93 P2RY12 (1.00) P2RY12
SCHEMBL8798292 0.88 P2RY12 (0.81) P2RY12
SCHEMBL8800851 0.85 P2RY12 (0.83) P2RY12
SCHEMBL8799730 0.85 P2RY12 (0.77) P2RY12
SCHEMBL8798535 0.83 P2RY12 (0.80) P2RY12
SCHEMBL7330293 0.83 P2RY12 (0.77) P2RY12
SCHEMBL7327239 0.83 P2RY12 (1.00) P2RY12
SCHEMBL8800322 0.82 P2RY12 (1.00) P2RY12
SCHEMBL9533682 0.81 P2RY12 (1.00) P2RY12
SCHEMBL9534082 0.81 P2RY12 (0.76) 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
EP-0525123-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES UPJOHN CO (US) 1997-09-17 EP 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 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 claimed