SCHEMBL18166325

SCHEMBL18166325

CCCc1nnnn1-c1cc(OC(=O)NCc2cnc(C)cn2)cc(-c2ccc(C)cc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 13/20 0.36
P2RX2 Q9UBL9 13/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL18166389 0.95 P2RX3 (0.38) P2RX3P2RX2
SCHEMBL18166357 0.91 P2RX3 (0.46) P2RX3P2RX2MAPT
SCHEMBL18166401 0.89 P2RX3 (0.43) P2RX3P2RX2MAPT
SCHEMBL18166416 0.89 P2RX3 (0.40) P2RX3P2RX2MAPT
SCHEMBL18166462 0.88 P2RX3 (0.38) P2RX3P2RX2MAPT
SCHEMBL18166289 0.88 P2RX3 (0.39) P2RX3P2RX2
SCHEMBL10245006 0.88 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18166444 0.83 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL10244766 0.82 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL18166453 0.79 P2RX3 (0.42) P2RX3P2RX2

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-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed