SCHEMBL8679592

SCHEMBL8679592

CN(C)C1[C]=CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.37
HRH1 P35367 3/20 0.37
HTR2C P28335 10/20 0.36
HTR2B P41595 10/20 0.36
HRH3 Q9Y5N1 10/20 0.36
SIGMAR1 Q99720 5/20 0.36
GPR3 P46089 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
SCHEMBL7883084 1.00 HTR2A (0.37) HTR2AHRH1HTR2CHTR2BHRH3
SCHEMBL7065635 0.75 ACP3 (0.30)
SCHEMBL6521360 0.75 HTR2A (0.35) HTR2AHRH1HTR2CHTR2B
SCHEMBL4290508 0.75 HTR2A (0.35) HTR2AHRH1HTR2CHTR2B
SCHEMBL458495 0.75 HTR2A (0.35) HTR2AHRH1HTR2CHTR2B
SCHEMBL3389204 0.72 HTR2A (0.35) HTR2AHRH1HTR2C
SCHEMBL8890669 0.72 CHRNB2 (0.33) HTR2A
SCHEMBL458123 0.71 HTR2A (0.34) HTR2AHRH1HTR2C
SCHEMBL874497 0.71 HTR2A (0.34) HTR2AHRH1HTR2C
SCHEMBL455932 0.71 HTR2A (0.34) HTR2AHRH1HTR2C

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-1998055543-A1 POLYMER STABILIZATION DYNEON LLC (US) 1998-12-10 WO disclosed