SCHEMBL6017892

SCHEMBL6017892

[CH2]Cc1ccc(-n2c(CCc3nccs3)nc3c(C)cc(C)nc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.34
GPR4 P46093 4/20 0.34
OPRK1 P41145 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL1623488 0.89 AGTR2 (0.34) AGTR2GPR4OPRK1PDE10A
SCHEMBL1624183 0.89 AGTR2 (0.35) AGTR2GPR4
SCHEMBL28751555 0.80 GPR4 (0.33) AGTR2GPR4PDE10A
SCHEMBL3947385 0.80 GPR4 (0.43) GPR4
SCHEMBL1625155 0.76 PTGER4 (0.58)
SCHEMBL27618331 0.76 GPR4 (0.34) GPR4
SCHEMBL27579860 0.76 GPR4 (0.45) GPR4
SCHEMBL27600077 0.75
SCHEMBL3949488 0.73 AKT1 (0.35)
SCHEMBL3947731 0.71 GPR4 (0.34) GPR4

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
EP-1666480-A1 Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents. PFIZER PHARMACEUTICALS INC. (JP) 2006-06-07 EP disclosed