SCHEMBL9451699

SCHEMBL9451699

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.48
ADRB1 P08588 1/20 0.48
LMNA P02545 1/20 0.47
LSS P48449 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
SCHEMBL9451695 0.94 POLB (0.59) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL9451694 0.92 KCNJ1 (0.51) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL14183554 0.91 KCNJ1 (0.50) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL9451668 0.88 MAPT (0.46) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL9451638 0.87 SIGMAR1 (0.51) SIRT6MAPTALDH1A1MEN1KMT2A
Fumaric Acid SCHEMBL9451729 0.87 MEN1 (0.51) MAPTALDH1A1MEN1KMT2APOLB
Fumaric Acid SCHEMBL7308310 0.87 MEN1 (0.51) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8491801 0.86 CRHBP (0.54)
SCHEMBL3440216 0.83 MAPT (0.59) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL10036175 0.83 MAPT (0.53) SIRT6MAPTALDH1A1MEN1KMT2A

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