SCHEMBL18166291

SCHEMBL18166291

CCc1nnnn1-c1cc(OC(=O)NCc2ccc(C)nc2C)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
MAPT P10636 1/20 0.35
LMNA P02545 3/20 0.34
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL18166435 0.84 P2RX3 (0.48) P2RX3P2RX2MAPTLMNA
SCHEMBL18166379 0.83 P2RX3 (0.46) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166392 0.83 P2RX3 (0.50) P2RX3P2RX2MAPTLMNAL3MBTL1
SCHEMBL18166382 0.83 P2RX3 (0.51) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166444 0.83 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18036382 0.83 P2RX3 (0.49) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166437 0.82 P2RX3 (0.45) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18036339 0.81 P2RX3 (0.47) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18036320 0.81 P2RX3 (0.51) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18036413 0.81 P2RX3 (0.49) P2RX3P2RX2MAPTLMNATP53

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