SCHEMBL4643098

SCHEMBL4643098

CN1CCC(N(C)c2nc3cc(NC(=O)Oc4ccc(-c5ccc(F)cc5Cl)cc4)ccc3o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.42
HTR1F P30939 2/20 0.40
PTGDR2 Q9Y5Y4 10/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MCHR1 Q99705 1/20 0.37
AGPAT2 O15120 2/20 0.36

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
SCHEMBL4641368 0.93 PTGDR2 (0.40) MAPTPOLBTP53HTR1FPTGDR2
SCHEMBL4641201 0.92 AGPAT2 (0.42) MAPTPOLBPTGDR2KDM4ENPC1
SCHEMBL4643048 0.92 AGPAT2 (0.42) MAPTPOLBTP53AGPAT2
SCHEMBL4646624 0.92 MAPT (0.42) MAPTTP53HTR1FPTGDR2KDM4E
SCHEMBL4641410 0.89 AGPAT2 (0.42) MAPTPOLBPTGDR2KDM4ENPC1
SCHEMBL5244647 0.89 MAPT (0.54) MAPTPOLBTP53HTR1FPTGDR2
SCHEMBL4641300 0.86 AGPAT2 (0.42) MAPTPOLBTP53KDM4ENPC1
SCHEMBL4643115 0.82 PTGDR2 (0.43) MAPTPOLBTP53PTGDR2KDM4E
SCHEMBL4641252 0.82 PTGDR2 (0.39) MAPTTP53HTR1FPTGDR2KDM4E
SCHEMBL13054171 0.82 MAPT (0.49) MAPTPOLBTP53HTR1FPTGDR2

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-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed