SCHEMBL7083245

SCHEMBL7083245

C=CCn1c(CCCO)nc(C(C)C)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
FPR1 P21462 1/20 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
SCHEMBL6962524 0.94 APLNR (0.33) APLNRTDP1
SCHEMBL6970392 0.89 APLNR (0.34) APLNRTDP1GAAMAPTFPR1
SCHEMBL7086752 0.88 APLNR (0.33) APLNRTDP1GAAMAPTFPR1
SCHEMBL6975444 0.88
SCHEMBL6974118 0.87 TLR8 (0.34) APLNRTDP1GAAMAPTFPR1
SCHEMBL6974422 0.87 GCGR (0.31) MAPT
SCHEMBL6974517 0.85 MEN1 (0.36) MAPT
SCHEMBL6961583 0.85 APLNR (0.31) APLNRTDP1
SCHEMBL6973018 0.84
SCHEMBL7082887 0.84 GCGR (0.33)

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