SCHEMBL20095694

SCHEMBL20095694

CN(C)C1CCC=C(c2cccc(C3CC3)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.39
HTR2A P28223 4/20 0.39
HTR2B P41595 4/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HTR1A P08908 9/20 0.36
HTR7 P34969 9/20 0.36
NOTUM Q6P988 1/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
DHFR P00374 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL20095688 1.00 HTR2C (0.39) HTR2CHTR2AHTR2BHRH3HTR1A
SCHEMBL21311610 0.82 NISCH (0.40) HTR1AHTR7CHRM3
SCHEMBL21311611 0.82 NISCH (0.40) HTR1AHTR7CHRM3
SCHEMBL20096267 0.81 HTR1A (0.53) HTR2CHTR2AHTR2BHRH3HTR1A
SCHEMBL20096018 0.81 HTR1A (0.53) HTR2CHTR2AHTR2BHRH3HTR1A
SCHEMBL20095952 0.81 HTR2A (0.39) HTR2CHTR2AHTR2BHRH3HTR1A
SCHEMBL20095951 0.81 HTR2A (0.39) HTR2CHTR2AHTR2BHRH3HTR1A
SCHEMBL20096104 0.79 HTR1A (0.55) HTR2CHTR2AHTR2BHRH3HTR1A
SCHEMBL21311618 0.73 USP30 (0.41) HTR1ACTSS
SCHEMBL21312006 0.72 ERCC1 (0.39) HRH3

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-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed