SCHEMBL18166369

SCHEMBL18166369

CCc1nnnn1-c1cc(OC(=O)NC(C)c2nccs2)cc(-c2ccc(F)cc2Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
CTSA P10619 6/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
WDR5 P61964 1/20 0.32
GPR139 Q6DWJ6 1/20 0.31
P2RX7 Q99572 1/20 0.31
MAPT P10636 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
SCHEMBL18166458 0.94 P2RX3 (0.34) P2RX3P2RX2CTSANPC1RAB9A
SCHEMBL18166360 0.90 CTSA (0.33) CTSANPC1RAB9AWDR5GPR139
SCHEMBL10244060 0.88 P2RX3 (0.51) P2RX3P2RX2NPC1RAB9AWDR5
SCHEMBL18166387 0.87 TP53 (0.39) CTSANPC1RAB9AWDR5MAPT
SCHEMBL18166270 0.85 P2RX3 (0.55) P2RX3P2RX2WDR5
SCHEMBL18036374 0.84 P2RX3 (0.37) P2RX3P2RX2MAPT
SCHEMBL18166450 0.84 P2RX3 (0.54) P2RX3P2RX2CTSANPC1RAB9A
SCHEMBL18036431 0.83 DGAT2 (0.38) P2RX3P2RX2WDR5MAPT
SCHEMBL10243628 0.82 P2RX3 (0.46) P2RX3P2RX2CTSANPC1RAB9A
SCHEMBL18166412 0.80 P2RX3 (0.50) P2RX3P2RX2WDR5

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