SCHEMBL7293116

SCHEMBL7293116

CN(C(=O)C(F)(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
ALDH1A1 P00352 8/20 0.48
POLB P06746 2/20 0.48
SIRT6 Q8N6T7 2/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ENPP2 Q13822 1/20 0.45
MAPK1 P28482 2/20 0.45
ADRB1 P08588 1/20 0.45

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
SCHEMBL1750266 0.93 MAPT (0.49) MAPTALDH1A1POLBSIRT6CYP2C9
SCHEMBL1750267 0.93 MAPT (0.49) MAPTALDH1A1POLBSIRT6CYP2C9
SCHEMBL14167563 0.85 MAPT (0.59) MAPTALDH1A1POLBSIRT6CYP2C9
SCHEMBL7299663 0.82 NPY5R (0.46) MAPTALDH1A1POLBLMNAMEN1
SCHEMBL594885 0.81 MAPT (0.60) MAPTALDH1A1POLBSIRT6CYP2C9
SCHEMBL3440216 0.80 MAPT (0.59) MAPTALDH1A1POLBSIRT6CYP2C9
SCHEMBL16580726 0.78 SIRT6 (0.56) MAPTALDH1A1POLBSIRT6CYP2C9
SCHEMBL1749521 0.78 MCHR1 (0.54) MAPTALDH1A1POLBSIRT6CYP2C9
SCHEMBL1749643 0.78 MAPT (0.53) MAPTALDH1A1POLBSIRT6CYP2C9
SCHEMBL1749642 0.78 MAPT (0.53) MAPTALDH1A1POLBSIRT6CYP2C9

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
EP-0503411-B1 Substituted N-phenylpiperidines and medicaments thereof BASF AG (DE) 1995-11-29 EP disclosed
US-5296485-A Substituted N-phenylpiperidines and drugs therefrom BASF AKTIENGESELLSCHAFT (DE) 1994-03-22 US disclosed
EP-0503411-A1 Substituted N-phenylpiperidines and medicaments thereof BASF Aktiengesellschaft (DE) 1992-09-16 EP disclosed