SCHEMBL18166347

SCHEMBL18166347

COC(C)c1nnnn1-c1cc(OC(=O)NC(C)c2cnccn2)cc(-c2ccc(C)cc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.47
P2RX2 Q9UBL9 9/20 0.47
HPGDS O60760 1/20 0.34

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
SCHEMBL18166349 0.93 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18166380 0.93 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18166268 0.93 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL18166463 0.90 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL18166273 0.89 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL10243927 0.89 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166355 0.87 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL18166308 0.87 P2RX3 (0.55) P2RX3P2RX2
SCHEMBL18166402 0.86 P2RX3 (0.43) P2RX3P2RX2HPGDS
SCHEMBL18166283 0.85 P2RX3 (0.42) P2RX3P2RX2HPGDS

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