SCHEMBL4744778

SCHEMBL4744778

CCC(CC)NC(=O)Nc1cc(F)c(Oc2ccc(NC(=O)O)cc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.52
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4226776 0.87 PKM (0.54) PKMTAS1R3TAS1R1MAPTNPC1
SCHEMBL4226773 0.85 PKM (0.52) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4744588 0.82 PKM (0.57) PKMTAS1R3TAS1R1MAPTNPC1
SCHEMBL4232752 0.82 TAS1R3 (0.55) PKMTAS1R3TAS1R1MAPTNPC1
SCHEMBL4233572 0.80 TAS1R3 (0.55) PKMTAS1R3TAS1R1MAPTNPC1
SCHEMBL4689054 0.79 TAS1R3 (0.72) PKMTAS1R3TAS1R1MAPTRAB9A
SCHEMBL4235502 0.79 TAS1R3 (0.40) PKMTAS1R3TAS1R1
SCHEMBL4228409 0.78 PKM (0.45) PKMTAS1R3TAS1R1CYP2C9CYP2C19
SCHEMBL4683708 0.78 PKM (0.63) PKMTAS1R3TAS1R1MAPTRAB9A
SCHEMBL5149842 0.78 PKM (0.63) PKMTAS1R3TAS1R1MAPTRAB9A

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