SCHEMBL6970136

SCHEMBL6970136

CC(C)c1nc(COCCO)n(C)c1Sc1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
GCGR P47871 1/20 0.32
NOTUM Q6P988 1/20 0.32
SLC6A9 P48067 5/20 0.32
VCP P55072 1/20 0.31
DHODH Q02127 1/20 0.31
PPARG P37231 1/20 0.30
HAO1 Q9UJM8 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
SCHEMBL6957378 0.89
SCHEMBL7081196 0.88 DHODH (0.35) GCGRSLC6A9VCPDHODH
SCHEMBL7078933 0.88 MAOB (0.35) MAOAMAOBNOTUMSLC6A9VCP
SCHEMBL7082468 0.87 CYP1A2 (0.35) MAOAMAOBNOTUMSLC6A9PPARG
SCHEMBL7080477 0.87 SMN1; SMN2 (0.36) VCP
SCHEMBL7087401 0.86 EPHX1 (0.34) MAOAMAOBGCGRNOTUMSLC6A9
SCHEMBL7081102 0.86 GCGR (0.36) MAOAMAOBGCGRNOTUMSLC6A9
SCHEMBL7087555 0.86 GCGR (0.38) MAOAMAOBGCGRNOTUMSLC6A9
SCHEMBL7083517 0.84 GCGR (0.38) MAOAMAOBGCGRNOTUMSLC6A9
SCHEMBL6962728 0.83 CYP1A2 (0.40) MAOAMAOBNOTUMSLC6A9PPARG

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