SCHEMBL8201402

SCHEMBL8201402

CSc1ccc(-c2ccc(C3=NCCN3)cc2)cc1

nearest known ligand 0.96

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.96
PTGIR P43119 1/20 0.60
HTR1D P28221 1/20 0.57
ADRA1A P35348 1/20 0.57
LMNA P02545 1/20 0.56
RECQL P46063 1/20 0.56
TOP2A P11388 2/20 0.54
TOP2B Q02880 2/20 0.54
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53

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
SCHEMBL1288672 0.98 NISCH (1.00) NISCHPTGIRHTR1DADRA1ALMNA
SCHEMBL8231902 0.88 NISCH (0.74) NISCHPTGIR
SCHEMBL5476725 0.82 NISCH (0.79) NISCHHTR1DADRA1ALMNARECQL
SCHEMBL8200536 0.82 NISCH (0.71) NISCHPTGIRADRA2AADRA2BADRA2C
SCHEMBL8141372 0.77 NISCH (1.00) NISCHHTR1DADRA1ALMNARECQL
SCHEMBL1886692 0.77 NISCH (1.00) NISCHHTR1DADRA1ALMNARECQL
Hydrochloric Acid SCHEMBL7736746 0.76 NISCH (0.62) NISCHPTGIRRECQLTOP2ATOP2B
SCHEMBL5807724 0.76 PTGIR (1.00) NISCHPTGIR
SCHEMBL8197880 0.76 NISCH (0.69) NISCHHTR1DADRA1ALMNARECQL
SCHEMBL8202670 0.76 NISCH (0.69) NISCHHTR1DADRA1ALMNARECQL

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