SCHEMBL5313624

SCHEMBL5313624

CC(C)(C)OC(=O)NCC1CC1c1ccccc1-c1ccc(C(F)(F)F)cc1.CC(C)(C)OC(=O)NCC1CC1c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.39
HTR2B P41595 4/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
HTR2A P28223 2/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CHRM3 P20309 1/20 0.36
APOB P04114 2/20 0.36
MTTP P55157 2/20 0.36
GAA P10253 1/20 0.36
MDM2 Q00987 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TACR1 P25103 1/20 0.34
MTNR1B P49286 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL4131945 0.94 HTR2C (0.41) HTR2CSLC6A2SLC6A4CYP11B1CYP11B2
SCHEMBL4131941 0.94 HTR2C (0.41) HTR2CSLC6A2SLC6A4CYP11B1CYP11B2
SCHEMBL5343070 0.90 HTR2C (0.48) HTR2CHTR2BSLC6A2SLC6A4HTR2A
SCHEMBL5312992 0.90 HTR2C (0.39) HTR2CHTR2BSLC6A2SLC6A4HTR2A
SCHEMBL4134676 0.87 HTR2C (0.50) HTR2CHTR2BSLC6A2SLC6A4HTR2A
SCHEMBL4134674 0.87 HTR2C (0.50) HTR2CHTR2BSLC6A2SLC6A4HTR2A
SCHEMBL4131902 0.84 HTR2C (0.54) HTR2CSLC6A4SLC6A3CHRM3MTNR1B
SCHEMBL4131900 0.84 HTR2C (0.54) HTR2CSLC6A4SLC6A3CHRM3MTNR1B
SCHEMBL4128708 0.83 CNR1 (0.42) HTR2CSLC6A4SLC6A3GAAMTNR1B
SCHEMBL4128706 0.83 CNR1 (0.42) HTR2CSLC6A4SLC6A3GAAMTNR1B

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-2007025144-A1 5-HT2C RECEPTOR AGONISTS AS ANORECTIC AGENTS UNIVERSITY OF ILLINOIS - CHICAGO (US) 2007-03-01 WO disclosed