SCHEMBL4643115

SCHEMBL4643115

CN1CCCC(N(C)c2nc3cc(NC(=O)Oc4ccc(-c5ccc(F)cc5)cc4)ccc3o2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.43
MAPT P10636 5/20 0.40
TP53 P04637 4/20 0.40
KCNH2 Q12809 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL4645627 0.93 ALDH1A1 (0.41) PTGDR2MAPTTP53KDM4ENPC1
SCHEMBL4646624 0.90 MAPT (0.42) PTGDR2MAPTTP53THRBKDM4E
SCHEMBL13054177 0.88 MAPT (0.52) PTGDR2MAPTTP53THRBKDM4E
SCHEMBL4643537 0.86 MAPT (0.42) PTGDR2MAPTTP53THRBKDM4E
SCHEMBL4641368 0.83 PTGDR2 (0.40) PTGDR2MAPTTP53THRBPOLB
SCHEMBL4643630 0.83 MAPT (0.41) PTGDR2MAPTTP53THRBKDM4E
SCHEMBL4641300 0.83 AGPAT2 (0.42) MAPTTP53THRBKDM4ENPC1
SCHEMBL4643098 0.82 MAPT (0.46) PTGDR2MAPTTP53KDM4ENPC1
SCHEMBL4645865 0.81 PTGDR2 (0.41) PTGDR2MAPTTP53KCNH2MALT1
SCHEMBL13054173 0.81 MCHR1 (0.46) MAPTTP53THRBKDM4ENPC1

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