SCHEMBL13626630

SCHEMBL13626630

C/C(=N\OC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CCKAR P32238 1/20 0.61
HTR5A P47898 1/20 0.61
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
PTPN1 P18031 2/20 0.50
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47

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
SCHEMBL4311261 1.00 HTR1A (0.61) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL13172256 0.91 HTR1A (0.63) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL13626294 0.87 HTR1A (0.74) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL4323726 0.87 HTR1A (0.74) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL4454995 0.85 HTR1A (0.81) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL13626236 0.85 HTR1A (0.81) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL4454997 0.85 HTR1A (0.81) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL13626255 0.81 HTR1A (0.70) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL4314640 0.81 HTR1A (0.70) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL4314616 0.81 ALDH1A1 (0.61) HTR1AADORA3CCKARHTR5APOLB

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