SCHEMBL5315744

SCHEMBL5315744

CC(C)(C)OC(=O)NCC1CC1c1cccc(-c2cccc(Cl)c2)c1.CC(C)(C)OC(=O)NCC1CC1c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.42
HTR2A P28223 3/20 0.42
HTR2B P41595 3/20 0.42
CNR1 P21554 1/20 0.39
DRD2 P14416 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CTSL P07711 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ACACB O00763 4/20 0.36
ACACA Q13085 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL4129039 0.94 HTR2C (0.46) HTR2CHTR2AHTR2BCNR1DRD2
SCHEMBL4129040 0.94 HTR2C (0.46) HTR2CHTR2AHTR2BCNR1DRD2
SCHEMBL5315275 0.93 HTR2C (0.50) HTR2CHTR2AHTR2BCNR1DRD2
SCHEMBL4126434 0.90 HTR2A (0.51) HTR2CHTR2AHTR2BCNR1DRD2
SCHEMBL4126436 0.90 HTR2A (0.51) HTR2CHTR2AHTR2BCNR1DRD2
SCHEMBL5315446 0.88 DRD2 (0.40) HTR2CHTR2AHTR2BCNR1DRD2
SCHEMBL5315320 0.88 HTR2C (0.50) HTR2CHTR2AHTR2BCTSBCTSS
SCHEMBL4129089 0.87 HTR2C (0.56) HTR2CHTR2AHTR2BCNR1DRD2
SCHEMBL4129091 0.87 HTR2C (0.56) HTR2CHTR2AHTR2BCNR1DRD2
SCHEMBL4134708 0.81 DRD2 (0.43) HTR2CCNR1DRD2KDM4EACACB

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