SCHEMBL6957360

SCHEMBL6957360

CC(C)c1nc(CCO)n(Cc2ccc(N)cc2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.33
TLR7 Q9NYK1 1/20 0.31
AGTR1 P30556 2/20 0.30
AGTR2 P50052 2/20 0.30

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
SCHEMBL7083336 0.94 ALDH1A1 (0.34) ENPP2TLR7AGTR1AGTR2
SCHEMBL7087537 0.92 TBXA2R (0.31)
SCHEMBL6974234 0.90 TDP1 (0.36) ENPP2TLR7
SCHEMBL6964177 0.89 TLR7 (0.35) TLR7
SCHEMBL7085356 0.89 ENPP2 (0.36) ENPP2
SCHEMBL6961597 0.89 HSP90B1 (0.32) TLR7
SCHEMBL6967033 0.86 ENPP2 (0.31) ENPP2TLR7AGTR1AGTR2
SCHEMBL6961399 0.84 PPARG (0.35) ENPP2TLR7AGTR1AGTR2
SCHEMBL6965285 0.84 GCGR (0.30)
SCHEMBL7079248 0.84 TDP1 (0.37) TLR7AGTR1AGTR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed