SCHEMBL18166406

SCHEMBL18166406

CCc1nnnn1-c1cc(OC(=O)NC(C)c2cnccn2)cc(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.56
P2RX2 Q9UBL9 5/20 0.56
KCNK3 O14649 1/20 0.33
HPGDS O60760 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL18166276 0.93 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL18166270 0.93 P2RX3 (0.55) P2RX3P2RX2KCNK3HPGDS
SCHEMBL18166442 0.93 P2RX3 (0.55) P2RX3P2RX2KCNK3HPGDS
SCHEMBL18166299 0.91 P2RX3 (0.66) P2RX3P2RX2
SCHEMBL18166388 0.88 P2RX3 (0.55) P2RX3P2RX2
SCHEMBL10244422 0.88 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL18166412 0.87 P2RX3 (0.50) P2RX3P2RX2KCNK3
SCHEMBL18166415 0.86 P2RX3 (0.56) P2RX3P2RX2KCNK3HPGDS
SCHEMBL18166355 0.86 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL18166267 0.85 P2RX3 (0.77) 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