SCHEMBL4454997

SCHEMBL4454997

CC(=NOC(=O)Nc1ccccc1)c1ccc(-c2cccs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.81
ADORA3 P0DMS8 1/20 0.81
CCKAR P32238 1/20 0.81
HTR5A P47898 1/20 0.81
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL13626236 1.00 HTR1A (0.81) HTR1AADORA3CCKARHTR5ARAB9A
SCHEMBL4454995 1.00 HTR1A (0.81) HTR1AADORA3CCKARHTR5ARAB9A
SCHEMBL13626452 0.90 HTR1A (1.00) HTR1AADORA3CCKARHTR5AMEN1
SCHEMBL4318956 0.90 HTR1A (1.00) HTR1AADORA3CCKARHTR5AMEN1
SCHEMBL4311261 0.85 HTR1A (0.61) HTR1AADORA3CCKARHTR5AMEN1
SCHEMBL13626630 0.85 HTR1A (0.61) HTR1AADORA3CCKARHTR5AMEN1
SCHEMBL13172256 0.82 HTR1A (0.63) HTR1AADORA3CCKARHTR5ARAB9A
SCHEMBL13626451 0.77 HTR1A (0.51) HTR1AADORA3CCKARHTR5A
SCHEMBL14082867 0.76 PTPN1 (0.67) RAB9ANPC1MEN1POLBKMT2A
SCHEMBL4323726 0.76 HTR1A (0.74) HTR1AADORA3CCKARHTR5AMEN1

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