SCHEMBL5315320

SCHEMBL5315320

CC(C)(C)OC(=O)NCC1CC1c1cccc(-c2ccc(F)cc2)c1.CC(C)(C)OC(=O)NCC1CC1c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ACACB O00763 3/20 0.36
ACACA Q13085 2/20 0.36
F2R P25116 1/20 0.36
MGLL Q99685 1/20 0.35
HSD17B2 P37059 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
GRM2 Q14416 1/20 0.35
NPY5R Q15761 1/20 0.34
AAK1 Q2M2I8 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
SCHEMBL4127041 0.94 HTR2C (0.56) HTR2CHTR2AHTR2BCTSBCTSS
SCHEMBL4127039 0.94 HTR2C (0.56) HTR2CHTR2AHTR2BCTSBCTSS
SCHEMBL5315275 0.91 HTR2C (0.50) HTR2CHTR2AHTR2BCTSBCTSS
SCHEMBL4126436 0.89 HTR2A (0.51) HTR2CHTR2AHTR2BCTSBCTSS
SCHEMBL4126434 0.89 HTR2A (0.51) HTR2CHTR2AHTR2BCTSBCTSS
SCHEMBL5315744 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BCTSBCTSS
SCHEMBL5315451 0.85 HTR2C (0.40) HTR2CHTR2AHTR2BSLC6A4SLC6A3
SCHEMBL4138979 0.84 HTR2C (0.43) HTR2CHTR2AHTR2BACACBACACA
SCHEMBL4138978 0.84 HTR2C (0.43) HTR2CHTR2AHTR2BACACBACACA
SCHEMBL4129089 0.84 HTR2C (0.56) HTR2CHTR2AHTR2BACACBACACA

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