SCHEMBL10996658

SCHEMBL10996658

Cc1cccc(NC(=O)/N=C2/SCCN2C)c1C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.59
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL10996662 1.00 GRM5 (0.59) GRM5NPC1RAB9AGAAMEN1
SCHEMBL10993124 0.86 GRM5 (0.62) GRM5NPC1RAB9AGAAMEN1
SCHEMBL10993126 0.86 GRM5 (0.62) GRM5NPC1RAB9AGAAMEN1
SCHEMBL10994890 0.81 GRM5 (0.57) GRM5NPC1RAB9AGAAMEN1
SCHEMBL10994893 0.81 GRM5 (0.57) GRM5NPC1RAB9AGAAMEN1
SCHEMBL10992189 0.81 GRM5 (0.63) GRM5NPC1RAB9AGAA
SCHEMBL10992172 0.81 GRM5 (0.63) GRM5NPC1RAB9AGAA
SCHEMBL10994183 0.80 GRM5 (0.56) GRM5NPC1RAB9AGAAMEN1
SCHEMBL10994182 0.80 GRM5 (0.56) GRM5NPC1RAB9AGAAMEN1
SCHEMBL10997158 0.80 GRM5 (0.56) GRM5RAB9AMEN1KMT2AALDH1A1

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
US-4542144-A EPILEPSY MCNEILAB INC. (US) 1985-09-17 — — US claimed
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