SCHEMBL18166292

SCHEMBL18166292

CCc1nnnn1-c1cc(OC(=O)NC(C)c2ccc(N(C)C)nc2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.52
P2RX2 Q9UBL9 2/20 0.52
TRPV1 Q8NER1 1/20 0.34
ACACB O00763 2/20 0.33
ACACA Q13085 1/20 0.33
GPR139 Q6DWJ6 2/20 0.32
MAPT P10636 1/20 0.32
ALOX5 P09917 2/20 0.31
LMNA P02545 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL18166424 0.90 P2RX3 (0.54) P2RX3P2RX2TRPV1ACACBACACA
SCHEMBL18166465 0.89 P2RX3 (0.52) P2RX3P2RX2TRPV1ACACBGPR139
SCHEMBL18166436 0.88 P2RX3 (0.53) P2RX3P2RX2TRPV1ACACBACACA
SCHEMBL10243721 0.87 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL18166335 0.85 P2RX3 (0.59) P2RX3P2RX2MAPTLMNA
SCHEMBL18166427 0.85 P2RX3 (0.55) P2RX3P2RX2TRPV1ACACBACACA
SCHEMBL18166293 0.84 P2RX3 (0.57) P2RX3P2RX2TRPV1ACACBGPR139
SCHEMBL18166399 0.84 P2RX3 (0.46) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18166361 0.83 P2RX3 (0.53) P2RX3P2RX2TRPV1ACACBGPR139
SCHEMBL18166319 0.82 P2RX3 (0.53) P2RX3P2RX2TRPV1ACACBGPR139

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