SCHEMBL5315446

SCHEMBL5315446

CC(C)(C)OC(=O)NCC1CC1c1cccc(-c2ccccc2Cl)c1.CC(C)(C)OC(=O)NCC1CC1c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
ACACB O00763 6/20 0.37
ACACA Q13085 3/20 0.37
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CTSB P07858 1/20 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
SCHEMBL4134708 0.94 DRD2 (0.43) DRD2HTR2CACACBACACACNR1
SCHEMBL4134705 0.94 DRD2 (0.43) DRD2HTR2CACACBACACACNR1
SCHEMBL5315744 0.88 HTR2C (0.42) DRD2HTR2CHTR2AHTR2BACACB
SCHEMBL4126434 0.87 HTR2A (0.51) DRD2HTR2CHTR2AHTR2BACACB
SCHEMBL4126436 0.87 HTR2A (0.51) DRD2HTR2CHTR2AHTR2BACACB
SCHEMBL5315275 0.87 HTR2C (0.50) DRD2HTR2CHTR2AHTR2BACACB
SCHEMBL5315320 0.83 HTR2C (0.50) HTR2CHTR2AHTR2BACACBACACA
SCHEMBL4129039 0.81 HTR2C (0.46) DRD2HTR2CHTR2AHTR2BACACB
SCHEMBL4129040 0.81 HTR2C (0.46) DRD2HTR2CHTR2AHTR2BACACB
SCHEMBL4129089 0.81 HTR2C (0.56) DRD2HTR2CHTR2AHTR2BACACB

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