SCHEMBL13626249

SCHEMBL13626249

COc1ccc(NC(=O)O/N=C(\C)c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.63
HTR1A P08908 1/20 0.63
CCKAR P32238 1/20 0.63
HTR5A P47898 1/20 0.63
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
FAAH O00519 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4322420 1.00 ADORA3 (0.63) ADORA3HTR1ACCKARHTR5ACYP1A2
SCHEMBL4323726 0.90 HTR1A (0.74) ADORA3HTR1ACCKARHTR5APOLB
SCHEMBL13626294 0.90 HTR1A (0.74) ADORA3HTR1ACCKARHTR5APOLB
SCHEMBL4320282 0.87 HTR1A (0.64) ADORA3HTR1ACCKARHTR5APOLB
SCHEMBL13626235 0.87 HTR1A (0.64) ADORA3HTR1ACCKARHTR5APOLB
SCHEMBL13626255 0.84 HTR1A (0.70) ADORA3HTR1ACCKARHTR5APOLB
SCHEMBL4314640 0.84 HTR1A (0.70) ADORA3HTR1ACCKARHTR5APOLB
SCHEMBL4325642 0.81 HTR1A (0.65) ADORA3HTR1ACCKARHTR5APOLB
SCHEMBL4321467 0.80 SMN1; SMN2 (0.58) ADORA3HTR1ACCKARHTR5APOLB
SCHEMBL4321469 0.80 SMN1; SMN2 (0.58) ADORA3HTR1ACCKARHTR5APOLB

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