SCHEMBL16667403

SCHEMBL16667403

Cc1ccc(-c2cc(OC(=O)N[C@@H](C)CO)cc(-n3nncc3C(C)C)c2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.43
P2RX2 Q9UBL9 4/20 0.43
PTGS2 P35354 2/20 0.35
FAAH O00519 4/20 0.34
CTSA P10619 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL16667404 1.00 P2RX3 (0.43) P2RX3P2RX2PTGS2FAAHCTSA
SCHEMBL16667326 0.92 P2RX3 (0.35) P2RX3P2RX2PTGS2FAAHCTSA
SCHEMBL16667471 0.87 P2RX3 (0.38) P2RX3P2RX2
SCHEMBL16667434 0.87 P2RX3 (0.38) P2RX3P2RX2
SCHEMBL2270936 0.86 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL2271106 0.86 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL18036393 0.84 P2RX3 (0.43) P2RX3P2RX2FAAHCTSAALOX5AP
SCHEMBL18036384 0.84 P2RX3 (0.44) P2RX3P2RX2FAAHCTSAALOX5AP
SCHEMBL18036441 0.84 P2RX3 (0.44) P2RX3P2RX2FAAHCTSAALOX5AP
SCHEMBL18036417 0.82 P2RX3 (0.44) P2RX3P2RX2PTGS2FAAHCTSA

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-2607356-B1 Triazole-substituted arylamide derivatives and their use as P2x3 and /or P2x2/3 purinergic receptor antagonists HOFFMANN LA ROCHE (CH) 2015-04-29 EP claimed