SCHEMBL8799719

SCHEMBL8799719

O=c1cc(N2CCOCC2)oc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc12

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 14/20 0.79
PRKDC P78527 6/20 0.62

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
SCHEMBL8882123 0.87 P2RY12 (0.75) P2RY12PRKDC
SCHEMBL7317064 0.86 PRKDC (0.68) P2RY12PRKDC
SCHEMBL8880761 0.85 P2RY12 (0.59) P2RY12PRKDC
SCHEMBL8798415 0.85 PRKDC (0.61) P2RY12PRKDC
SCHEMBL910153 0.84 PRKDC (0.84) P2RY12PRKDC
SCHEMBL8798408 0.84 P2RY12 (0.57) P2RY12PRKDC
SCHEMBL9537386 0.84 P2RY12 (0.60) P2RY12PRKDC
SCHEMBL9535184 0.82 P2RY12 (0.58) P2RY12PRKDC
SCHEMBL7318138 0.80 PRKDC (0.77) P2RY12PRKDC
SCHEMBL8881859 0.79 P2RY12 (0.84) 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
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
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