SCHEMBL7293302

SCHEMBL7293302

CN(Cc1ccc([N+](=O)[O-])cc1)CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 5/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 2/20 0.48
PYCR1 P32322 1/20 0.48
POLB P06746 2/20 0.46
ADRB1 P08588 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
SCHEMBL7300716 0.94 MEN1 (0.50) SIRT6LMNAMEN1KMT2AMAPT
Fumaric Acid SCHEMBL9311250 0.91 MAPT (0.47) SIRT6LMNAMEN1KMT2AMAPT
Fumaric Acid SCHEMBL9311256 0.91 MAPT (0.47) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL29045758 0.85 MEN1 (0.55) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL3088232 0.83 PYCR1 (0.51) LMNAMAPTHRH3ALDH1A1PYCR1
SCHEMBL9451699 0.82 SIRT6 (0.51) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL3440277 0.81 MEN1 (0.56) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL9310257 0.80 MAPT (0.46) LMNAMEN1KMT2AMAPTHRH3
SCHEMBL11776717 0.80 KCNH2 (0.54) MEN1KMT2AALDH1A1PYCR1
SCHEMBL25108483 0.79 CHKA (0.50) KMT2AMAPTALDH1A1

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