SCHEMBL18166318

SCHEMBL18166318

CCc1nnnn1-c1cc(OC(=O)NC(C)c2c(C)n[nH]c2C)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.50
P2RX2 Q9UBL9 1/20 0.50
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
MAPT P10636 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
LMNA P02545 3/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL10244854 0.87 P2RX3 (0.66) P2RX3P2RX2DGAT2
SCHEMBL18166344 0.85 P2RX3 (0.50) P2RX3P2RX2HCRTR1HCRTR2TRPV1
SCHEMBL18166293 0.83 P2RX3 (0.57) P2RX3P2RX2TRPV1LMNAALDH1A1
SCHEMBL18036400 0.83 P2RX3 (0.53) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18036457 0.83 P2RX3 (0.53) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18166382 0.83 P2RX3 (0.51) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18166285 0.82 P2RX3 (0.50) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18036332 0.81 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL18036359 0.81 P2RX3 (0.52) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18036408 0.81 P2RX3 (0.52) 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