SCHEMBL18166344

SCHEMBL18166344

CCc1nnnn1-c1cc(OC(=O)NC(C)c2c(C)nn(C)c2C)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.50
P2RX2 Q9UBL9 1/20 0.50
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
PHGDH O43175 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL18166318 0.85 P2RX3 (0.50) P2RX3P2RX2HCRTR1HCRTR2TRPV1
SCHEMBL18166285 0.85 P2RX3 (0.50) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18166372 0.84 P2RX3 (0.53) P2RX3P2RX2PHGDHTRPV1MAPT
SCHEMBL18166293 0.83 P2RX3 (0.57) P2RX3P2RX2TRPV1LMNAALDH1A1
SCHEMBL18036359 0.83 P2RX3 (0.52) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18036400 0.83 P2RX3 (0.53) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18036457 0.83 P2RX3 (0.53) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18166382 0.83 P2RX3 (0.51) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18166409 0.82 P2RX3 (0.54) P2RX3P2RX2NPC1RAB9ATRPV1
SCHEMBL18166361 0.81 P2RX3 (0.53) P2RX3P2RX2TRPV1MAPTLMNA

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