SCHEMBL5312992

SCHEMBL5312992

CC(C)(C)OC(=O)NCC1CC1c1ccccc1-c1ccc(Cl)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
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2A P28223 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CNR1 P21554 1/20 0.39
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
DRD2 P14416 4/20 0.36

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
SCHEMBL4128708 0.94 CNR1 (0.42) HTR2CSLC6A4SLC6A3CNR1ACACB
SCHEMBL4128706 0.94 CNR1 (0.42) HTR2CSLC6A4SLC6A3CNR1ACACB
SCHEMBL5343070 0.91 HTR2C (0.48) HTR2CHTR2BSLC6A4SLC6A2HTR2A
SCHEMBL5313624 0.90 HTR2C (0.39) HTR2CHTR2BSLC6A4SLC6A2HTR2A
SCHEMBL4134674 0.88 HTR2C (0.50) HTR2CHTR2BSLC6A4SLC6A2HTR2A
SCHEMBL4134676 0.88 HTR2C (0.50) HTR2CHTR2BSLC6A4SLC6A2HTR2A
SCHEMBL4131900 0.85 HTR2C (0.54) HTR2CSLC6A4SLC6A3ACACBACACA
SCHEMBL4131902 0.85 HTR2C (0.54) HTR2CSLC6A4SLC6A3ACACBACACA
SCHEMBL4131945 0.83 HTR2C (0.41) HTR2CSLC6A4SLC6A2ACACBACACA
SCHEMBL4131941 0.83 HTR2C (0.41) HTR2CSLC6A4SLC6A2ACACBACACA

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