SCHEMBL6907720

SCHEMBL6907720

C[C@H]1CCCC[C@H]1N(C)C(=O)c1cn2c(nc3ccc([N+](=O)[O-])cc32)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.49
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 3/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TOP1 P11387 2/20 0.36
RHOA P61586 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
ITK Q08881 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
SCHEMBL6907716 1.00 GRM1 (0.49) GRM1ALDH1A1MAPTHPGDRAB9A
SCHEMBL6907721 0.94 GRM1 (0.42) GRM1ALDH1A1MAPTRAB9ALMNA
SCHEMBL7232085 0.89 GRM1 (0.61) GRM1ALDH1A1MAPTHPGDRAB9A
Hydrochloric Acid SCHEMBL6908261 0.85 MAPT (0.51) GRM1ALDH1A1MAPTHPGDRAB9A
Hydrochloric Acid SCHEMBL6908265 0.85 MAPT (0.51) GRM1ALDH1A1MAPTHPGDRAB9A
SCHEMBL6901288 0.83 GRM1 (0.47) GRM1ALDH1A1MAPTHPGDHRH3
SCHEMBL6901283 0.83 GRM1 (0.47) GRM1ALDH1A1MAPTHPGDHRH3
SCHEMBL7232093 0.81 GRM1 (0.54) GRM1ALDH1A1MAPTHPGDRAB9A
Hydrochloric Acid SCHEMBL6908268 0.79 MAPT (0.44) GRM1ALDH1A1MAPTHPGDRAB9A
SCHEMBL7232091 0.78 ATM (0.47) GRM1ALDH1A1MAPTRAB9ALMNA

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