SCHEMBL4701518

SCHEMBL4701518

CCOC(=O)c1c(N2CCCC2=O)c2cc(-c3nc(F)c(C)c(F)c3F)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.35
TP53 P04637 5/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HRH3 Q9Y5N1 5/20 0.34
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4697797 0.82 GCK (0.41) MAPTPOLBTP53
SCHEMBL3014804 0.71 APP (0.34) MAPTTP53MAOAMAOBHRH3
SCHEMBL4924442 0.71 MAPT (0.52) MAPTPOLBTP53PKMHSD17B10
SCHEMBL4700830 0.71 MCHR1 (0.38) TP53
SCHEMBL333883 0.69 FAAH (0.38) MAOAMAOB
SCHEMBL334231 0.68 PPARG (0.41) MAPTTP53
SCHEMBL3573660 0.67 FAAH (0.40) MAPTMAOAMAOBHRH3
SCHEMBL3013914 0.67 P2RY14 (0.37) MAOAMAOB
SCHEMBL3012527 0.67 PPARA (0.38) MAPT
SCHEMBL4700751 0.67 GCK (0.41) MAPTMAOB

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-1778633-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-12-03 EP disclosed