SCHEMBL27788151

SCHEMBL27788151

[C]#CCC(CN)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.50
GABBR1 Q9UBS5 2/20 0.50
TAAR1 Q96RJ0 4/20 0.48
HTR2A P28223 3/20 0.48
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HRH1 P35367 2/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL1539105 0.79 TAAR1 (0.65) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL5355243 0.79 GABBR2 (0.50) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL19812663 0.79 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ACHRNB2
Hydrochloric Acid SCHEMBL10676327 0.77 TAAR1 (0.62) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL28822999 0.71 GABBR2 (0.61) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL7666405 0.71 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL429746 0.71 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL11436391 0.71 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL9137323 0.71 HRH1 (0.62) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL429745 0.71 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102333760-B Halogen-containing organosulfur compounds and use thereof for controlling arthropod pest SUMITOMO CHEMICAL CO 2014-04-09 CN disclosed
CN-102036951-B Nitrile compound and its use for control of arthropod pest SUMITOMO CHEMICAL CO 2014-02-19 CN disclosed
CN-101790511-B Halogen-containing organosulfur compounds and uses thereof SUMITOMO CHEMICAL CO 2013-12-11 CN disclosed
CN-102333760-A Halogen-containing organosulfur compounds and use thereof for controlling arthropod pest SUMITOMO CHEMICAL CO 2012-01-25 CN disclosed
CN-102036951-A Nitrile compound and its use for control of arthropod pest SUMITOMO CHEMICAL CO 2011-04-27 CN disclosed
CN-101790511-A Halogen-containing organosulfur compounds and uses thereof SUMITOMO CHEMICAL CO 2010-07-28 CN disclosed