SCHEMBL4643038

SCHEMBL4643038

Cc1cc(Cl)ccc1-c1ccc(OC(=O)Nc2ccc3nc(N(C)CCN(C)C)sc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.48
MCHR2 Q969V1 1/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
AURKB Q96GD4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TMPRSS15 P98073 2/20 0.42
POLB P06746 2/20 0.41
HTR2C P28335 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL4643578 0.93 MCHR1 (0.44) MCHR1MCHR2MAPTKMT2AMEN1
SCHEMBL4641601 0.92 MAPT (0.43) MCHR1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4644016 0.91 ALDH1A1 (0.43) MCHR1MAPTKMT2AALDH1A1HTT
SCHEMBL4647199 0.90 MCHR1 (0.46) MCHR1MAPTTMPRSS15
SCHEMBL4641593 0.89 MAPT (0.46) MCHR1MCHR2MAPTKMT2AMEN1
SCHEMBL4641406 0.88 MAPT (0.42) MCHR1MAPTKMT2AMEN1AURKB
SCHEMBL4643026 0.87 MCHR1 (0.42) MCHR1MAPTKMT2AMEN1AURKB
SCHEMBL13054277 0.87 MCHR1 (0.51) MCHR1MCHR2MAPTKMT2AMEN1
SCHEMBL4643663 0.87 ALDH1A1 (0.46) MCHR1MAPTKMT2AMEN1AURKB
Hydrochloric Acid SCHEMBL5244939 0.86 MCHR1 (0.50) MCHR1MAPTKMT2AMEN1ALDH1A1

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