SCHEMBL7320123

SCHEMBL7320123

Cc1c(CCc2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.71
PRKDC P78527 2/20 0.58
PIK3R1 P27986 1/20 0.57
PIK3CA P42336 1/20 0.57
MTOR P42345 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL7326957 0.89 P2RY12 (0.73) P2RY12PRKDCPIK3R1PIK3CAMTOR
SCHEMBL7326955 0.86 P2RY12 (0.74) P2RY12PRKDCPIK3R1PIK3CAMTOR
SCHEMBL7328869 0.85 P2RY12 (0.81) P2RY12
SCHEMBL7330662 0.85 PRKDC (0.65) P2RY12PRKDCPIK3R1PIK3CAMTOR
SCHEMBL7326740 0.83 P2RY12 (1.00) P2RY12PRKDC
SCHEMBL7321293 0.80 PRKDC (0.72) P2RY12PRKDCPIK3R1PIK3CAMTOR
SCHEMBL13752243 0.79 P2RY12 (0.73) P2RY12
SCHEMBL8799531 0.79 P2RY12 (0.84) P2RY12
SCHEMBL8799538 0.78 P2RY12 (0.76) P2RY12PRKDC
SCHEMBL8881553 0.78 P2RY12 (0.79) 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
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US 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 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