SCHEMBL7316901

SCHEMBL7316901

O=c1cc(N2CCOCC2)oc2cc(OCc3cccc(C(F)(F)F)c3)ccc12

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 18/20 0.78
P2RY12 Q9H244 2/20 0.64

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
SCHEMBL3536307 0.86 PRKDC (1.00) PRKDCP2RY12
SCHEMBL31061551 0.86 PRKDC (1.00) PRKDCP2RY12
SCHEMBL3537736 0.85 PRKDC (1.00) PRKDCP2RY12
SCHEMBL3539949 0.85 PRKDC (1.00) PRKDC
SCHEMBL3539003 0.82 PRKDC (1.00) PRKDCP2RY12
SCHEMBL3540258 0.82 PRKDC (1.00) PRKDC
SCHEMBL7325263 0.82 PRKDC (0.66) PRKDCP2RY12
SCHEMBL7356797 0.81 PRKDC (0.78) PRKDCP2RY12
SCHEMBL3537406 0.81 PRKDC (1.00) PRKDC
SCHEMBL8879731 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
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 disclosed