SCHEMBL8200536

SCHEMBL8200536

CSc1ccc(-c2ccccc2C2=NCCN2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.71
PTGIR P43119 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8194068 0.84 NISCH (0.77) NISCHADRA2AADRA2BADRA2C
SCHEMBL1288672 0.84 NISCH (1.00) NISCHPTGIRADRA2AADRA2BADRA2C
SCHEMBL8201402 0.82 NISCH (0.96) NISCHPTGIRADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8188726 0.80 NISCH (0.50) NISCHADRA2AADRA2BADRA2CALDH1A1
SCHEMBL9579892 0.80 NISCH (0.81) NISCH
SCHEMBL8197935 0.80 NISCH (0.75) NISCH
SCHEMBL8202723 0.80 NISCH (0.75) NISCH
SCHEMBL8202988 0.79 NISCH (0.71) NISCHPTGIR
SCHEMBL8196837 0.79 NISCH (0.51) NISCHADRA2AADRA2BADRA2CALDH1A1
SCHEMBL8231902 0.78 NISCH (0.74) NISCHPTGIR

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-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed