SCHEMBL8196824

SCHEMBL8196824

FC(F)(F)c1cc(-c2ccc(C3=NCCN3)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 15/20 0.76
HTR1D P28221 1/20 0.57
ADRA1A P35348 1/20 0.57
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
TOP2A P11388 2/20 0.50
TOP2B Q02880 2/20 0.50

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
SCHEMBL7738682 0.88 NISCH (0.63) NISCHHTR1DADRA1A
SCHEMBL11833135 0.86 NISCH (1.00) NISCHHTR1DADRA1ALMNARECQL
SCHEMBL8201787 0.80 NISCH (0.62) NISCH
SCHEMBL7735671 0.80 NISCH (0.74) NISCHHTR1DADRA1A
SCHEMBL5476725 0.78 NISCH (0.79) NISCHHTR1DADRA1ALMNARECQL
SCHEMBL6824276 0.78 PRMT1 (0.56) NISCHHTR1DADRA1ARECQLTOP2A
SCHEMBL22915140 0.77 NISCH (0.81) NISCHHTR1DADRA1ALMNARECQL
Hydrochloric Acid SCHEMBL7727877 0.77 PRMT1 (0.55) NISCHHTR1DADRA1ARECQLTOP2A
Hydrochloric Acid SCHEMBL7727881 0.76 NISCH (0.48) NISCHHTR1DADRA1ALMNARECQL
Hydrochloric Acid SCHEMBL7736302 0.76 NISCH (0.48) 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