SCHEMBL18166356

SCHEMBL18166356

COC(C)c1nnnn1-c1cc(OC(=O)NCc2cnc(C)cn2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 16/20 0.43
P2RX2 Q9UBL9 16/20 0.43

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
SCHEMBL18166350 1.00 P2RX3 (0.43) P2RX3P2RX2
SCHEMBL18166429 1.00 P2RX3 (0.43) P2RX3P2RX2
SCHEMBL18166446 0.93 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL18166290 0.92 P2RX3 (0.42) P2RX3P2RX2
SCHEMBL18166371 0.92 P2RX3 (0.46) P2RX3P2RX2
SCHEMBL18166459 0.91 P2RX3 (0.42) P2RX3P2RX2
SCHEMBL18166294 0.90 P2RX3 (0.43) P2RX3P2RX2
SCHEMBL18166287 0.89 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL10243894 0.88 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL10243770 0.88 P2RX3 (0.57) 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