SCHEMBL2878683

SCHEMBL2878683

CCOC(=O)Oc1ccc(-c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 16/20 0.52
EPHX2 P34913 2/20 0.51
CHRM3 P20309 1/20 0.48
STING1 Q86WV6 1/20 0.47

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
SCHEMBL2878243 0.89 P2RY1 (0.56) P2RY1EPHX2STING1
SCHEMBL2878250 0.89 EPHX2 (0.56) P2RY1EPHX2CHRM3STING1
SCHEMBL2878651 0.87 MAPT (0.58) P2RY1EPHX2STING1
SCHEMBL2877898 0.87 EPHX2 (0.68) P2RY1EPHX2STING1
SCHEMBL14640383 0.86 EPHX2 (0.59) P2RY1EPHX2STING1
SCHEMBL2877421 0.84 NPC1 (0.60) P2RY1EPHX2STING1
SCHEMBL2872551 0.84 EPHX2 (0.62) P2RY1EPHX2STING1
SCHEMBL2872757 0.83 P2RY1 (0.54) P2RY1EPHX2CHRM3STING1
SCHEMBL2873323 0.82 P2RY1 (0.53) P2RY1EPHX2CHRM3STING1
SCHEMBL2875822 0.82 P2RY1 (0.60) P2RY1EPHX2STING1

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-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP claimed