SCHEMBL18166339

SCHEMBL18166339

CCCc1nnnn1-c1cc(OC(=O)NC(C)c2nccs2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.48
P2RX2 Q9UBL9 1/20 0.48
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
LMNA P02545 3/20 0.33
GPR139 Q6DWJ6 1/20 0.33
CTSA P10619 3/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACACB O00763 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
SCHEMBL18166450 0.94 P2RX3 (0.54) P2RX3P2RX2POLBGAASMN1; SMN2
SCHEMBL18166300 0.91 P2RX3 (0.46) P2RX3P2RX2POLBGAASMN1; SMN2
SCHEMBL18166451 0.91 P2RX3 (0.45) P2RX3P2RX2POLBGAASMN1; SMN2
SCHEMBL18166362 0.88 P2RX3 (0.41) P2RX3P2RX2POLBGAASMN1; SMN2
SCHEMBL10243431 0.87 P2RX3 (0.63) P2RX3P2RX2POLBGAASMN1; SMN2
SCHEMBL18166396 0.85 P2RX3 (0.39) P2RX3P2RX2POLBGAASMN1; SMN2
SCHEMBL18166458 0.85 P2RX3 (0.34) P2RX3P2RX2POLBGAASMN1; SMN2
SCHEMBL18166418 0.85 P2RX3 (0.39) P2RX3P2RX2POLBGAASMN1; SMN2
SCHEMBL18166441 0.84 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL18036445 0.83 P2RX3 (0.47) P2RX3P2RX2GAAMAPTLMNA

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