SCHEMBL4741586

SCHEMBL4741586

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(Cc5ccccc5)CC4)cc3)cc2)c(COC)c1.CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCNCC4)cc3)cc2)c(COC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
MCHR2 Q969V1 1/20 0.41
CCR5 P51681 2/20 0.41
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
GSK3B P49841 1/20 0.40
CHRM4 P08173 1/20 0.40
ACKR3 P25106 1/20 0.40
DRD2 P14416 1/20 0.40
LTA4H P09960 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
SCHEMBL4238123 0.96 MAPT (0.45) MCHR1MAPTL3MBTL1KITFLT3
SCHEMBL4234174 0.90 PKM (0.43) FLT3
SCHEMBL4236614 0.88 MAPT (0.52) MCHR1MAPTL3MBTL1MCHR2CCR5
SCHEMBL4229322 0.87 MCHR1 (0.46) MCHR1MAPTL3MBTL1KITFLT3
SCHEMBL4236550 0.85 MCHR1 (0.40) MCHR1MAPTL3MBTL1MCHR2HSD17B10
SCHEMBL4233481 0.84 HRH3 (0.47) FLT3
SCHEMBL4238765 0.84 HRH3 (0.47) FLT3
SCHEMBL4233537 0.82 MAPT (0.50) MCHR1MAPTL3MBTL1CCR5HSD17B10
SCHEMBL4687968 0.82 DRD2 (0.37) MCHR1KITFLT3MCHR2CCR5
SCHEMBL4236654 0.81 PKM (0.47) MCHR1MAPTALDH1A1SMN1; SMN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP claimed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO claimed