SCHEMBL9451695

SCHEMBL9451695

CN(Cc1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAOB P27338 1/20 0.48
MAPT P10636 7/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
HRH1 P35367 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
ENPP2 Q13822 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
SCHEMBL9451699 0.94 SIRT6 (0.51) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL9451694 0.86 KCNJ1 (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL14183554 0.85 KCNJ1 (0.50) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL9451668 0.83 MAPT (0.46) MEN1KMT2AMAPTALDH1A1SIRT6
SCHEMBL9451638 0.82 SIGMAR1 (0.51) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL9451716 0.82 LSS (0.55) MEN1KMT2AMAPTKCNH2CYP2D6
SCHEMBL9451671 0.82 MAPT (0.54) KMT2AMAPTALDH1A1LMNAMAPK1
Fumaric Acid SCHEMBL9451729 0.81 MEN1 (0.51) POLBMEN1KMT2AMAPTALDH1A1
Fumaric Acid SCHEMBL7308310 0.81 MEN1 (0.51) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL7303500 0.81 POLB (0.53) POLBMEN1KMT2AMAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260318-A Phenylpiperidylamines and drugs containing them BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed