SCHEMBL4645813

SCHEMBL4645813

CN(C)CCN(C)c1nc2ccc(NC(=O)Oc3ccc(-c4cccc(Cl)c4Cl)cc3)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 3/20 0.41
MAPT P10636 5/20 0.40
MCHR1 Q99705 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
AURKB Q96GD4 1/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
MCHR2 Q969V1 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
SCHEMBL4643026 0.93 MCHR1 (0.42) TMPRSS15MAPTMCHR1MEN1KMT2A
SCHEMBL4643578 0.88 MCHR1 (0.44) TMPRSS15MAPTMCHR1MEN1KMT2A
SCHEMBL4647199 0.87 MCHR1 (0.46) TMPRSS15MAPTMCHR1LMNA
SCHEMBL5249489 0.87 MCHR1 (0.48) MAPTMCHR1MEN1KMT2AHSD17B10
SCHEMBL4641406 0.87 MAPT (0.42) TMPRSS15MAPTMCHR1MEN1KMT2A
SCHEMBL4641593 0.87 MAPT (0.46) TMPRSS15MAPTMCHR1MEN1KMT2A
SCHEMBL4643663 0.86 ALDH1A1 (0.46) TMPRSS15MAPTMCHR1MEN1KMT2A
SCHEMBL4643038 0.86 MCHR1 (0.48) TMPRSS15MAPTMCHR1MEN1KMT2A
SCHEMBL4647202 0.85 CACNA1B (0.44) TMPRSS15MAPTMCHR1MEN1KMT2A
SCHEMBL4641377 0.84 MCHR1 (0.45) TMPRSS15MCHR1

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