SCHEMBL4787541

SCHEMBL4787541

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC45CCCC(CC4)N5C)cc3)c(F)c2)cc1.CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC45CCCC(CC4)N5C)cc3)cc2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.36
PKM P14618 2/20 0.34
KDR P35968 3/20 0.33
BRAF P15056 1/20 0.33
MCHR2 Q969V1 1/20 0.33
NAMPT P43490 1/20 0.33
MAPT P10636 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33

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
SCHEMBL4228728 0.93 PKM (0.38) MCHR1PKMKDRMCHR2MAPT
SCHEMBL4236329 0.93 PKM (0.38) MCHR1PKMMCHR2NAMPTMAPT
SCHEMBL4237744 0.93 PKM (0.38) MCHR1PKMMCHR2NAMPTMAPT
SCHEMBL4228886 0.92 PKM (0.40) MCHR1PKMKDRBRAFMCHR2
SCHEMBL4226989 0.90 TAS1R3 (0.39) MCHR1PKMKDRTAS1R3TAS1R1
SCHEMBL4233302 0.89 PKM (0.38) MCHR1PKMKDRBRAFMCHR2
SCHEMBL4239015 0.86 PKM (0.43) MCHR1PKMMCHR2NAMPTMAPT
SCHEMBL4238833 0.86 PKM (0.38) MCHR1PKMMCHR2MAPTTAS1R3
SCHEMBL4229247 0.85 MCHR1 (0.45) MCHR1PKMNAMPTTAS1R3TAS1R1
SCHEMBL4237676 0.85 PNLIP (0.41) MCHR1PKMMCHR2MAPT

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