SCHEMBL4742393

SCHEMBL4742393

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC45CCCC(CC4)N5C)cc3)cc2)c(COC)c1.CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC45CCCC(CC4)N5C)cc3)cc2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
PNLIP P16233 5/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM1 P11229 1/20 0.35
PKM P14618 1/20 0.35
MCHR1 Q99705 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.33
MCHR2 Q969V1 1/20 0.33
F7 P08709 1/20 0.32

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
SCHEMBL4228934 0.96 PKM (0.38) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL4237676 0.94 PNLIP (0.41) NPC1RAB9ACASP3SENP7PNLIP
SCHEMBL4238833 0.91 PKM (0.38) NPC1RAB9AMAPTPKMMCHR1
SCHEMBL4229247 0.87 MCHR1 (0.45) NPC1RAB9ASMN1; SMN2PKMMCHR1
SCHEMBL4237744 0.86 PKM (0.38) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL4236329 0.86 PKM (0.38) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL4233302 0.86 PKM (0.38) PNLIPMAPTPKMMCHR1MEN1
SCHEMBL4232426 0.85 MCHR1 (0.40) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL4239015 0.85 PKM (0.43) MAPTPKMMCHR1MEN1KMT2A
SCHEMBL4237367 0.85 MCHR1 (0.39) MAPTSMN1; SMN2PKMMCHR1MEN1

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 disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed