SCHEMBL5776458

SCHEMBL5776458

[CH]1NCCCC1c1ccc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP1A2 P05177 5/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 4/20 0.39
ALOX15 P16050 2/20 0.39
NISCH Q9Y2I1 1/20 0.39
PMP22 Q01453 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5776715 0.79 PDE3B (0.35) CYP1A2
SCHEMBL16429508 0.74 TAAR1 (0.49) CYP3A4ALDH1A1NPC1RAB9AMAPK1
SCHEMBL5779423 0.74 CYP1A2 (0.40) NPC1RAB9ACYP1A2KDM4ESLC6A4
SCHEMBL9302323 0.73 NPC1 (0.41) CYP3A4ALDH1A1NPC1RAB9AMAPK1
SCHEMBL27976769 0.72 ALDH1A1 (0.50) CYP3A4ALDH1A1NPC1RAB9AMAPK1
SCHEMBL3525605 0.71 NPC1 (0.49) CYP3A4ALDH1A1NPC1RAB9AMAPK1
SCHEMBL29733200 0.70 MEN1 (0.57) CYP3A4ALDH1A1NPC1RAB9AMAPK1
SCHEMBL21000902 0.70 MEN1 (0.57) CYP3A4ALDH1A1NPC1RAB9AMAPK1
SCHEMBL29390450 0.70 NPC1 (0.52) CYP3A4ALDH1A1NPC1RAB9AMAPK1
SCHEMBL902873 0.70 NPC1 (0.52) CYP3A4ALDH1A1NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633735-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-03-15 EP disclosed
WO-2004099176-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-11-18 WO disclosed