SCHEMBL9301752

SCHEMBL9301752

CN1CCN(c2cc(NC3CC3)c([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.62
ALDH1A1 P00352 6/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
LMNA P02545 5/20 0.60
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 2/20 0.52
GPR174 Q9BXC1 4/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL9302533 0.87 GPR174 (0.67) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9302938 0.86 GPR174 (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9302948 0.86 GPR174 (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9847853 0.85 MAPT (0.63) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9303323 0.82 MAPT (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9302068 0.81 MAPT (0.63) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8103160 0.81 MAPT (0.62) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL29847854 0.80 MAPT (0.76) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL16513593 0.80 MAPT (0.76) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22652069 0.79 MAPT (0.66) MAPTALDH1A1CYP1A2CYP2D6CYP2C9

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-5283248-A Bactericides, enzyme inhibitor of DNA-gyrase in bacteria HOFFMANN-LA ROCHE INC. (US) 1994-02-01 US disclosed