SCHEMBL9113672

SCHEMBL9113672

[CH2]C=CC=CCc1nccc2occc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.33
FADS1 O60427 1/20 0.31
TRPA1 O75762 1/20 0.31
KCNA3 P22001 1/20 0.30

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
SCHEMBL9112011 0.89 HTR2C (0.36) HTR2CFADS1TRPA1
SCHEMBL9114591 0.83 HTR2C (0.34) HTR2CFADS1TRPA1
SCHEMBL9112969 0.80 HTR2C (0.34) HTR2CFADS1TRPA1
SCHEMBL9114098 0.75 TRPA1 (0.33) HTR2CFADS1TRPA1
SCHEMBL9110040 0.73 HTR2C (0.36) HTR2CFADS1TRPA1
SCHEMBL9109755 0.70 HTR2C (0.33) HTR2CFADS1TRPA1
SCHEMBL3803166 0.70 HTR2C (0.40) HTR2CFADS1TRPA1KCNA3
SCHEMBL31426315 0.70 PDE3B (0.42) HTR2CFADS1TRPA1KCNA3
SCHEMBL8371407 0.70 HTR2C (0.42) HTR2CFADS1TRPA1
SCHEMBL9113007 0.69 TRPA1 (0.33) HTR2CFADS1TRPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed