SCHEMBL8205384

SCHEMBL8205384

c1csc(-c2ccccc2C2=NCCN2)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.73
MAOB P27338 3/20 0.57
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
MAOA P21397 2/20 0.51

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
SCHEMBL8832471 0.84 NISCH (1.00) NISCHMAOBADRA1DADRA1AADRA1B
SCHEMBL9579892 0.82 NISCH (0.81) NISCH
SCHEMBL8203361 0.79 NISCH (0.75) NISCHMAOBADRA1AMAOA
Hydrochloric Acid SCHEMBL8198861 0.78 NISCH (0.58) NISCHMAOBADRA1AADRA2AADRA2B
Hydrochloric Acid SCHEMBL7736358 0.78 NISCH (0.58) NISCHMAOBADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7736143 0.77 NISCH (0.57) NISCHMAOBADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7736355 0.77 NISCH (0.57) NISCHMAOBADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7736140 0.77 NISCH (0.57) NISCHMAOBADRA1DADRA1AADRA1B
SCHEMBL8200508 0.76 NISCH (0.50) NISCHMAOBADRA1DADRA1AADRA1B
SCHEMBL8187776 0.75 NISCH (0.55) NISCH

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