SCHEMBL4683469

SCHEMBL4683469

CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(Cc5ccccc5)CC4)cc3)cc2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.52
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 2/20 0.51
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
CHRM4 P08173 1/20 0.50
MCHR2 Q969V1 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KMT2A Q03164 2/20 0.45
CCR5 P51681 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL4683401 0.92 CHRM4 (0.51) MCHR1LMNAMAPTSMN1; SMN2HSD17B10
SCHEMBL4683393 0.89 FGFR1 (0.48) MCHR1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL4687404 0.87 MCHR1 (0.47) MCHR1LMNAMAPTSMN1; SMN2MCHR2
SCHEMBL4236614 0.87 MAPT (0.52) MCHR1LMNAMAPTSMN1; SMN2HSD17B10
SCHEMBL4683166 0.87 HRH3 (0.48) MAPTKMT2AMEN1
SCHEMBL4687069 0.87 HRH3 (0.48) MAPTKMT2AMEN1
SCHEMBL4688728 0.85 MCHR1 (0.47) MCHR1MAPTSMN1; SMN2MCHR2KMT2A
SCHEMBL4683459 0.85 MAPT (0.45) MCHR1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4683722 0.84 MAPT (0.49) MCHR1LMNAMAPTSMN1; SMN2HSD17B10
SCHEMBL4689248 0.84 MCHR1 (0.45) MCHR1LMNAMAPTSMN1; SMN2USP2

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 4 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
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed