SCHEMBL5807350

SCHEMBL5807350

CN1CCN([CH]N2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
HSD17B10 Q99714 1/20 0.30
POLB P06746 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL4717441 0.82 CA1 (0.35) ALDH1A1KMT2AHSD17B10POLB
SCHEMBL28394201 0.82 CA1 (0.35) ALDH1A1KMT2AHSD17B10POLB
SCHEMBL2251329 0.82 CA1 (0.35) ALDH1A1KMT2AHSD17B10POLB
SCHEMBL2254566 0.82 CA1 (0.35) ALDH1A1KMT2AHSD17B10POLB
SCHEMBL16015284 0.75 LMNA (0.39) CYP1A2TDP1LMNAKDM4EHRH3
N-Methylpiperidine SCHEMBL11878290 0.75 LMNA (0.39) CYP1A2TDP1LMNAKDM4EHRH3
SCHEMBL6238723 0.75 LMNA (0.39) CYP1A2TDP1LMNAKDM4EHRH3
SCHEMBL17771605 0.75 LMNA (0.39) CYP1A2TDP1LMNAKDM4EHRH3
SCHEMBL19677596 0.72 LMNA (0.43) CYP1A2TDP1LMNAKMT2AKDM4E
SCHEMBL3793955 0.71 HRH3 (0.37) CYP1A2TDP1LMNAALDH1A1KDM4E

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-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 WO claimed