SCHEMBL13788698

SCHEMBL13788698

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccsc1N1CC2(CCCCC2)c2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 20/20 0.80
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61
OPRK1 P41145 1/20 0.61
P2RX1 P51575 1/20 0.61

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
SCHEMBL4435196 0.89 P2RY1 (1.00) P2RY1OPRM1OPRD1OPRK1P2RX1
SCHEMBL4429041 0.88 P2RY1 (1.00) P2RY1OPRM1OPRD1OPRK1P2RX1
SCHEMBL4433739 0.86 P2RY1 (1.00) P2RY1OPRM1OPRD1OPRK1P2RX1
SCHEMBL4422614 0.84 P2RY1 (1.00) P2RY1OPRM1OPRD1OPRK1P2RX1
SCHEMBL13788705 0.81 P2RY1 (0.78) P2RY1OPRM1OPRD1OPRK1P2RX1
SCHEMBL13788725 0.81 P2RY1 (0.79) P2RY1OPRM1OPRD1OPRK1P2RX1
SCHEMBL4552153 0.79 P2RY1 (0.85) P2RY1OPRM1OPRD1OPRK1P2RX1
SCHEMBL4426301 0.77 P2RY1 (1.00) P2RY1OPRM1OPRD1OPRK1P2RX1
SCHEMBL15617093 0.75 P2RY1 (1.00) P2RY1OPRM1OPRD1OPRK1P2RX1
SCHEMBL4422600 0.75 P2RY1 (1.00) P2RY1OPRM1OPRD1OPRK1P2RX1

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-1750704-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed