SCHEMBL4688990

SCHEMBL4688990

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)O)c(F)c2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
PNLIP P16233 5/20 0.43
PDGFRA P16234 1/20 0.43
KDR P35968 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
ESRRA P11474 1/20 0.41
BRAF P15056 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GCGR P47871 1/20 0.40
PARP1 P09874 1/20 0.40
PARG Q86W56 1/20 0.40

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
SCHEMBL4683259 0.87 PKM (0.49) PKMNPC1RAB9ASMN1; SMN2TAS1R3
SCHEMBL4744588 0.87 PKM (0.57) PKMNPC1RAB9ASMN1; SMN2TAS1R3
SCHEMBL4231850 0.86 PKM (0.48) PKMNPC1RAB9ASMN1; SMN2TAS1R3
SCHEMBL4688997 0.83 EPHX2 (0.55) NPC1RAB9ASMN1; SMN2PNLIPHTT
SCHEMBL4236606 0.80 PKM (0.56) PKMPNLIPMAPTESRRAMEN1
SCHEMBL4238208 0.80 PKM (0.53) PKMTAS1R3TAS1R1PNLIPMAPT
SCHEMBL4240850 0.80 PKM (0.53) PKMTAS1R3TAS1R1PNLIPMAPT
SCHEMBL4228783 0.78 PKM (0.41) PKMNPC1RAB9ASMN1; SMN2TAS1R3
SCHEMBL4226808 0.77 CCR3 (0.40) PKMNPC1RAB9ASMN1; SMN2KDR
SCHEMBL4233787 0.77 PKM (0.56) PKMRAB9ATAS1R3TAS1R1PDGFRA

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