SCHEMBL7302491

SCHEMBL7302491

CN(CC(O)c1ccc([N+](=O)[O-])cc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.53
HTR1A P08908 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 8/20 0.49
SIRT6 Q8N6T7 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7303500 0.95 POLB (0.53) IGF1RHTR1AKDM4EMAPTSIRT6
SCHEMBL10036175 0.81 MAPT (0.53) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL9451699 0.79 SIRT6 (0.51) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL3440216 0.78 MAPT (0.59) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL7319744 0.77 KDM4E (0.48) KDM4EMEN1KMT2ALMNA
SCHEMBL9451638 0.77 SIGMAR1 (0.51) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL9309161 0.77 KDM4E (0.47) IGF1RHTR1AKDM4EMAPTMEN1
SCHEMBL15372693 0.76 MAPT (0.54) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL16580726 0.76 SIRT6 (0.56) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL14167563 0.75 MAPT (0.59) MAPTSIRT6ALDH1A1MEN1KMT2A

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