SCHEMBL9302533

SCHEMBL9302533

CC(=O)N1CCN(c2cc(NC3CC3)c([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 9/20 0.67
MAPT P10636 7/20 0.66
ALDH1A1 P00352 4/20 0.66
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC6A9 P48067 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48

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
SCHEMBL9302938 0.90 GPR174 (0.54) GPR174MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9302948 0.90 GPR174 (0.54) GPR174MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9301752 0.87 MAPT (0.62) GPR174MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9303323 0.86 MAPT (0.54) GPR174MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3317049 0.83 MAPT (0.79) GPR174MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9847853 0.82 MAPT (0.63) GPR174MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL22621283 0.81 GPR174 (1.00) GPR174MAPTALDH1A1LMNAGAA
SCHEMBL3317301 0.79 MAPT (0.81) GPR174MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9847727 0.79 GPR174 (0.43) GPR174MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL22621220 0.79 GPR174 (1.00) GPR174MAPTALDH1A1SMN1; SMN2LMNA

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 2 patents. 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
EP-0430847-A1 Procedure for the preparation of N-cyclopropyl-4-fluoroanilines CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) 1991-06-05 EP disclosed