SCHEMBL9537386

SCHEMBL9537386

CCOc1ccccc1N1CCN(CCOc2cccc3c(=O)cc(N4CCOCC4)oc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 13/20 0.60
PRKDC P78527 7/20 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
SCHEMBL9533376 0.91 P2RY12 (0.75) P2RY12
SCHEMBL8882123 0.84 P2RY12 (0.75) P2RY12PRKDC
SCHEMBL8799719 0.84 P2RY12 (0.79) P2RY12PRKDC
SCHEMBL8880761 0.80 P2RY12 (0.59) P2RY12PRKDC
SCHEMBL9536441 0.80 P2RY12 (0.78) P2RY12
SCHEMBL8798933 0.80 P2RY12 (0.57) P2RY12PRKDC
SCHEMBL9535184 0.79 P2RY12 (0.58) P2RY12PRKDC
SCHEMBL8881859 0.78 P2RY12 (0.84) P2RY12
SCHEMBL8798408 0.77 P2RY12 (0.57) P2RY12PRKDC
SCHEMBL7317064 0.77 PRKDC (0.68) P2RY12PRKDC

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
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
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 disclosed
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