SCHEMBL3154190

SCHEMBL3154190

CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OCC2CCN(C(=O)O)C(Cc3ccccc3)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 20/20 0.68
KCNH2 Q12809 1/20 0.56
P2RY14 Q15391 2/20 0.55

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
SCHEMBL3159645 0.85 P2RY1 (0.81) P2RY1KCNH2P2RY14
SCHEMBL3150018 0.84 P2RY1 (0.78) P2RY1KCNH2P2RY14
SCHEMBL3154843 0.84 P2RY1 (0.76) P2RY1KCNH2P2RY14
SCHEMBL3154195 0.83 P2RY1 (0.72) P2RY1KCNH2P2RY14
SCHEMBL3146508 0.82 P2RY1 (0.80) P2RY1KCNH2P2RY14
SCHEMBL3158698 0.82 P2RY1 (0.77) P2RY1KCNH2P2RY14
SCHEMBL3154572 0.81 P2RY1 (1.00) P2RY1KCNH2P2RY14
SCHEMBL3159849 0.80 P2RY1 (0.82) P2RY1KCNH2P2RY14
SCHEMBL5175962 0.80 P2RY1 (0.72) P2RY1KCNH2P2RY14
SCHEMBL3150816 0.80 P2RY1 (0.74) 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