SCHEMBL8917679

SCHEMBL8917679

CN1CCN(c2ccccc2OCc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.66
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTR1A P08908 3/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL8902021 0.87 HTR1A (0.52) METALDH1A1MAPTMAPK1LMNA
SCHEMBL14355885 0.80 HTR1A (0.68) ALDH1A1MAPK1MEN1KMT2AHTR1A
SCHEMBL8912798 0.80 DRD2 (0.51) METALDH1A1MAPK1MEN1KMT2A
SCHEMBL8917051 0.78 DRD2 (0.49) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL15936238 0.76 HTR1A (0.63) METALDH1A1MAPTLMNAMEN1
SCHEMBL30879319 0.76 CYP19A1 (0.54) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL31219897 0.74 NOX1 (0.50) METALDH1A1MAPTMAPK1LMNA
SCHEMBL8900904 0.74 DRD2 (0.56) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL29556577 0.74 ALDH1A1 (0.64) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL17560070 0.74 ALDH1A1 (0.61) ALDH1A1MAPTLMNAMEN1KMT2A

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
WO-1997014689-A1 ARYL-PIPERAZINE CYCLIC AMINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PIERRE FABRE MEDICAMENT (FR) 1997-04-24 WO disclosed