SCHEMBL3150816

SCHEMBL3150816

CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OCC2CCN(C(=O)O)C(C(C)(C)C)C2)cc1F

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 20/20 0.74
KCNH2 Q12809 2/20 0.72
P2RY14 Q15391 1/20 0.49

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
SCHEMBL3154670 0.87 P2RY1 (0.84) P2RY1KCNH2P2RY14
SCHEMBL3163832 0.85 P2RY1 (1.00) P2RY1KCNH2P2RY14
SCHEMBL3150819 0.84 P2RY1 (0.79) P2RY1KCNH2P2RY14
SCHEMBL3149579 0.84 P2RY1 (1.00) P2RY1KCNH2P2RY14
SCHEMBL3157949 0.83 P2RY1 (0.78) P2RY1KCNH2P2RY14
SCHEMBL3159816 0.83 P2RY1 (0.81) P2RY1KCNH2P2RY14
SCHEMBL3154188 0.82 P2RY1 (1.00) P2RY1KCNH2P2RY14
SCHEMBL3154190 0.80 P2RY1 (0.68) P2RY1KCNH2P2RY14
SCHEMBL3158466 0.79 P2RY1 (0.79) P2RY1KCNH2P2RY14
SCHEMBL3147646 0.78 P2RY1 (0.81) P2RY1KCNH2P2RY14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP claimed