SCHEMBL13626451

SCHEMBL13626451

CCCCCCCCCCCCNC(=O)O/N=C(\C)c1ccc(-c2cccs2)cc1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CCKAR P32238 1/20 0.51
HTR5A P47898 1/20 0.51
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAAA Q02083 1/20 0.41
MGLL Q99685 1/20 0.41
FAAH O00519 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4557886 0.91 HTR1A (0.64) HTR1AADORA3CCKARHTR5ANAAA
SCHEMBL4454995 0.77 HTR1A (0.81) HTR1AADORA3CCKARHTR5A
SCHEMBL13626236 0.77 HTR1A (0.81) HTR1AADORA3CCKARHTR5A
SCHEMBL4454997 0.77 HTR1A (0.81) HTR1AADORA3CCKARHTR5A
SCHEMBL18373495 0.75 HDAC3 (0.47) LMNAMGLLFAAHL3MBTL1
SCHEMBL27484667 0.72 MGLL (0.56) MGLL
SCHEMBL28404876 0.71 HSD17B3 (0.56)
SCHEMBL28039309 0.69 CES2 (0.60)
SCHEMBL31418296 0.69 MGLL (0.57) MGLLFAAH
SCHEMBL19003116 0.69 KMT2A (0.44) HTR1AADORA3CCKARHTR5ASMN1; SMN2

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-2009138416-A1 OXIME CARBAMOYL DERIVATIVES AS MODULATORS OF FATTY ACID AMIDES HYDROLASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-11-19 WO disclosed