SCHEMBL4643048

SCHEMBL4643048

Cc1ccc(-c2ccc(OC(=O)Nc3ccc4oc(N(C)C5CCN(C)CC5)nc4c3)cc2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 13/20 0.42
MAPT P10636 7/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4641201 0.93 AGPAT2 (0.42) AGPAT2MAPTTHRBPOLB
SCHEMBL4643098 0.92 MAPT (0.46) AGPAT2MAPTTP53POLB
SCHEMBL4641410 0.91 AGPAT2 (0.42) AGPAT2MAPTTHRBPOLB
SCHEMBL5247614 0.88 MAPT (0.49) AGPAT2MAPTTP53THRBPOLB
SCHEMBL4641300 0.86 AGPAT2 (0.42) AGPAT2MAPTTP53THRBPOLB
SCHEMBL4641368 0.86 PTGDR2 (0.40) MAPTTP53THRBPOLB
SCHEMBL4646624 0.86 MAPT (0.42) MAPTTP53THRB
SCHEMBL4642981 0.81 NPC1 (0.38) AGPAT2MAPTTP53THRBPOLB
SCHEMBL13054298 0.81 MAPT (0.49) MAPTTP53THRBPOLB
SCHEMBL4641167 0.81 AGPAT2 (0.46) AGPAT2MAPTTP53THRBPOLB

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