SCHEMBL9866792

SCHEMBL9866792

CC(=O)Nc1cc(O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.57
POLB P06746 1/20 0.54
MAPK1 P28482 2/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
SLC6A12 P48065 1/20 0.52
TMEM97 Q5BJF2 2/20 0.51
DRD4 P21917 2/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL9867273 0.89 DRD4 (0.65) SLC6A12DRD4DRD2DRD3
SCHEMBL9866864 0.88 DRD4 (0.55) SIGMAR1POLBMAPK1MAPTPKM
SCHEMBL9868364 0.85 SIGMAR1 (0.61) SIGMAR1POLBMAPK1SLC6A12TMEM97
Fumaric Acid SCHEMBL9866524 0.85 CYP3A4 (0.64) SLC6A12DRD4DRD2DRD3
Fumaric Acid SCHEMBL9866529 0.85 CYP3A4 (0.64) SLC6A12DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL9867074 0.84 SIGMAR1 (0.60) SIGMAR1POLBMAPK1SLC6A12TMEM97
SCHEMBL9866178 0.82 MLNR (0.42) SIGMAR1POLBMAPK1MAPTPKM
SCHEMBL9867056 0.81 DRD4 (0.55) SLC6A12DRD4DRD2DRD3
SCHEMBL9867302 0.81 DRD4 (0.57) DRD4DRD2DRD3
SCHEMBL9866907 0.79 DRD4 (0.53) DRD4DRD2DRD3

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-5026858-A Used for treating nausea, vomating, gastrointestinal disorders and centarl nervous system WALTON S.A. (ES) 1991-06-25 US disclosed