SCHEMBL4971125

SCHEMBL4971125

c1cnc2cc(C3CCCCC3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NR4A2 P43354 1/20 0.47
CYP11B2 P19099 1/20 0.46
CHRNA7 P36544 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
GSK3B P49841 1/20 0.41
ABL1 P00519 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL22288192 0.98 ALDH1A1 (0.49) BACE1ALDH1A1MEN1CASP1CASP7
SCHEMBL3515288 0.91 ALDH1A1 (0.52) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL31121067 0.91 ALDH1A1 (0.52) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL11460811 0.87 BACE1 (0.58) BACE1ALDH1A1CASP1HTTCYP11B2
SCHEMBL31087555 0.87 BACE1 (0.58) BACE1ALDH1A1CASP1HTTCYP11B2
SCHEMBL17672031 0.85 BACE1 (0.55) BACE1ALDH1A1CASP1HTTCYP11B2
SCHEMBL24870695 0.84 CHRNA7 (0.42) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL15534906 0.84 QDPR (0.46) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL22857367 0.83 DDB1 (0.48) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL28706150 0.80 ESR1 (0.47) 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