SCHEMBL6901288

SCHEMBL6901288

C[C@H]1CCCC[C@H]1N(C)C(=O)c1cn2c(nc3ccccc32)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.47
PTAFR P25105 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KLK7 P49862 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
HRH3 Q9Y5N1 6/20 0.36
KCNH2 Q12809 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
TP53 P04637 1/20 0.34
CNR2 P34972 2/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL6901283 1.00 GRM1 (0.47) GRM1PTAFRALDH1A1MAPTHPGD
SCHEMBL7232146 0.86 GRM1 (0.61) GRM1PTAFRALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6908265 0.85 MAPT (0.51) GRM1ALDH1A1MAPTHPGDKLK7
Hydrochloric Acid SCHEMBL6908261 0.85 MAPT (0.51) GRM1ALDH1A1MAPTHPGDKLK7
Hydrochloric Acid SCHEMBL6908268 0.85 MAPT (0.44) GRM1ALDH1A1MAPTHPGDKLK7
SCHEMBL6907720 0.83 GRM1 (0.49) GRM1ALDH1A1MAPTHPGDHRH3
SCHEMBL6907716 0.83 GRM1 (0.49) GRM1ALDH1A1MAPTHPGDHRH3
SCHEMBL6907721 0.83 GRM1 (0.42) GRM1ALDH1A1MAPTSIGMAR1
SCHEMBL7232156 0.75 LMNA (0.44) GRM1ALDH1A1MAPTHPGDTP53
Hydrochloric Acid SCHEMBL7235509 0.71 MAPT (0.58) GRM1ALDH1A1MAPTHPGDKLK7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087608-A1 Pharmaceuticals for neuropathic pain YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-05-06 US disclosed
US-6664283-B1 Pharmaceuticals for neurogenic pain YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-16 US disclosed
EP-1205187-A1 REMEDIES FOR NEUROGENIC PAINS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-05-15 EP disclosed