SCHEMBL1424890

SCHEMBL1424890

CC(C)(C)c1ccccc1Oc1ncccc1NS(=O)(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 18/20 0.58
P2RY14 Q15391 1/20 0.53
PTGES2 Q9H7Z7 1/20 0.52
CCR2 P41597 1/20 0.52

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
SCHEMBL1424512 0.90 P2RY1 (0.63) P2RY1P2RY14CCR2
SCHEMBL1424702 0.88 P2RY1 (0.53) P2RY1P2RY14CCR2
SCHEMBL1424658 0.84 KMT2A (0.57) P2RY1P2RY14CCR2
SCHEMBL3447064 0.84 P2RY1 (0.52) P2RY1P2RY14CCR2
SCHEMBL3446428 0.84 SLC40A1 (0.51) P2RY1P2RY14PTGES2CCR2
SCHEMBL1425270 0.83 P2RY1 (0.54) P2RY1P2RY14CCR2
SCHEMBL1425241 0.83 P2RY1 (0.65) P2RY1P2RY14CCR2
SCHEMBL3446186 0.81 P2RY1 (0.61) P2RY1P2RY14CCR2
SCHEMBL3446082 0.81 P2RY1 (0.66) P2RY1P2RY14PTGES2
SCHEMBL1424793 0.80 P2RY1 (0.54) P2RY1P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US claimed
EP-1896417-B1 LINEAR UREA MIMICS ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2011-03-23 EP disclosed