SCHEMBL4971121

SCHEMBL4971121

c1cnc2cc([C]3CCCCC3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
NR4A2 P43354 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
GSK3B P49841 1/20 0.45
CYP3A4 P08684 2/20 0.40
DYRK1A Q13627 1/20 0.39
MAPK14 Q16539 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PDE10A Q9Y233 1/20 0.38
CASP6 P55212 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
SCHEMBL28947682 0.91 ALDH1A1 (0.53) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL5438921 0.86 NPC1 (0.67) ALDH1A1MEN1CASP1KMT2ACYP1A2
SCHEMBL3726615 0.81 NPC1 (0.68) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL29485612 0.81 NPC1 (0.68) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL28192579 0.77 NPC1 (0.74) ALDH1A1MEN1CASP1KMT2ACYP1A2
SCHEMBL23441982 0.74 NPC1 (0.64) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL7905481 0.74 NPC1 (0.84) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL6005419 0.74 NPC1 (0.59) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL12075052 0.74 NPC1 (0.59) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL19506133 0.74 NPC1 (0.64) ALDH1A1MEN1CASP1CASP7KMT2A

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-1969051-A2 INHIBITORS OF FATTY ACID AMIDE HYDROLASE N.V. Organon (NL) 2008-09-17 EP disclosed
WO-2007079180-A2 INHIBITORS OF FATTY ACID AMIDE HYDROLASE N.V. ORGANON (NL) 2007-07-12 WO disclosed