SCHEMBL9112969

SCHEMBL9112969

[CH2]CCC=CCc1nccc2occc12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.34
TRPA1 O75762 1/20 0.34
DRD1 P21728 1/20 0.32
FADS1 O60427 1/20 0.31

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 0.84 HTR2C (0.36) HTR2CTRPA1DRD1FADS1
SCHEMBL9109755 0.80 HTR2C (0.33) HTR2CTRPA1DRD1FADS1
SCHEMBL9113672 0.80 HTR2C (0.33) HTR2CTRPA1FADS1
SCHEMBL9240107 0.79 HTR2C (0.35) HTR2CTRPA1DRD1FADS1
SCHEMBL9114591 0.78 HTR2C (0.34) HTR2CTRPA1FADS1
SCHEMBL9114098 0.73 TRPA1 (0.33) HTR2CTRPA1DRD1FADS1
SCHEMBL9113177 0.71 HTR2C (0.33) HTR2CTRPA1DRD1FADS1
SCHEMBL3803166 0.71 HTR2C (0.40) HTR2CTRPA1DRD1FADS1
SCHEMBL31426315 0.71 PDE3B (0.42) HTR2CTRPA1DRD1FADS1
SCHEMBL8371407 0.71 HTR2C (0.42) HTR2CTRPA1DRD1FADS1

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