SCHEMBL4643578

SCHEMBL4643578

CN(C)CCN(C)c1nc2ccc(NC(=O)Oc3ccc(-c4ccc(Cl)cc4Cl)cc3)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.44
MCHR2 Q969V1 1/20 0.44
MAPT P10636 4/20 0.43
AURKB Q96GD4 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TMPRSS15 P98073 3/20 0.42
POLB P06746 3/20 0.41
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2C P28335 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 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
SCHEMBL4643038 0.93 MCHR1 (0.48) MCHR1MCHR2MAPTAURKBKMT2A
SCHEMBL4641593 0.93 MAPT (0.46) MCHR1MCHR2MAPTAURKBKMT2A
SCHEMBL4641406 0.93 MAPT (0.42) MCHR1MAPTAURKBKMT2AMEN1
SCHEMBL4643663 0.92 ALDH1A1 (0.46) MCHR1MAPTAURKBKMT2AMEN1
SCHEMBL4643026 0.91 MCHR1 (0.42) MCHR1MAPTAURKBKMT2AMEN1
SCHEMBL4647202 0.90 CACNA1B (0.44) MCHR1MAPTAURKBKMT2AMEN1
SCHEMBL4641377 0.90 MCHR1 (0.45) MCHR1TMPRSS15HTR2C
SCHEMBL4645813 0.88 TMPRSS15 (0.41) MCHR1MCHR2MAPTAURKBKMT2A
SCHEMBL5246157 0.87 MCHR1 (0.47) MCHR1MCHR2MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL5246146 0.86 KMT2A (0.46) MCHR1MCHR2MAPTKMT2AMEN1

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