SCHEMBL18166382

SCHEMBL18166382

CCc1nnnn1-c1cc(OC(=O)NC(C)c2ccc(C)nc2C)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.51
P2RX2 Q9UBL9 1/20 0.51
TRPV1 Q8NER1 1/20 0.32
LMNA P02545 5/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.30
MEN1 O00255 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C19 P33261 2/20 0.30
KMT2A Q03164 2/20 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
SCHEMBL10243939 0.86 P2RX3 (0.67) P2RX3P2RX2
SCHEMBL18166285 0.86 P2RX3 (0.50) P2RX3P2RX2TRPV1LMNAMAPT
SCHEMBL18166293 0.84 P2RX3 (0.57) P2RX3P2RX2TRPV1LMNAALDH1A1
SCHEMBL18036400 0.83 P2RX3 (0.53) P2RX3P2RX2TRPV1LMNAMAPT
SCHEMBL18036457 0.83 P2RX3 (0.53) P2RX3P2RX2TRPV1LMNAMAPT
SCHEMBL18166427 0.83 P2RX3 (0.55) P2RX3P2RX2TRPV1LMNAMAPT
SCHEMBL18166335 0.83 P2RX3 (0.59) P2RX3P2RX2LMNAMAPTALDH1A1
SCHEMBL18166291 0.83 P2RX3 (0.44) P2RX3P2RX2LMNAMAPTALDH1A1
SCHEMBL18166409 0.83 P2RX3 (0.54) P2RX3P2RX2TRPV1LMNAMAPT
SCHEMBL18166344 0.83 P2RX3 (0.50) P2RX3P2RX2TRPV1LMNAMAPT

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