SCHEMBL7300716

SCHEMBL7300716

CN(Cc1ccccc1)CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 6/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
CYP2C19 P33261 2/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
LMNA P02545 2/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTT P42858 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MCHR1 Q99705 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 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
SCHEMBL7293302 0.94 SIRT6 (0.52) MEN1KMT2AMAPTALDH1A1SIRT6
Fumaric Acid SCHEMBL9311250 0.88 MAPT (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Fumaric Acid SCHEMBL9311256 0.88 MAPT (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL29045758 0.82 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6427625 0.81 MAPT (0.65) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3088232 0.78 PYCR1 (0.51) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3440277 0.78 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Fumaric Acid SCHEMBL9451729 0.77 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Fumaric Acid SCHEMBL7308310 0.77 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL9451699 0.77 SIRT6 (0.51) MEN1KMT2AMAPTALDH1A1SIRT6

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