SCHEMBL4683259

SCHEMBL4683259

CCOc1cc(NC(=O)NC(CC)CC)ccc1Oc1ccc(NC(=O)O)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.49
RAB9A P51151 4/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
RIPK2 O43353 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
BRAF P15056 1/20 0.39
GAA P10253 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
SCHEMBL4688990 0.87 PKM (0.50) PKMRAB9ATAS1R3TAS1R1MAPT
SCHEMBL4226997 0.86 PKM (0.47) PKMRAB9ATAS1R3TAS1R1POLB
SCHEMBL4744588 0.86 PKM (0.57) PKMRAB9ATAS1R3TAS1R1POLB
SCHEMBL4226994 0.85 PKM (0.46) PKMRAB9ATAS1R3TAS1R1MAPT
SCHEMBL4683265 0.84 EPHX1 (0.46) PKMRAB9AMAPTSMN1; SMN2NPC1
SCHEMBL4237924 0.81 PKM (0.55) PKMRAB9ATAS1R3TAS1R1POLB
SCHEMBL4236665 0.81 PKM (0.52) PKMRAB9ATAS1R3TAS1R1POLB
SCHEMBL4233270 0.81 PKM (0.52) PKMRAB9ATAS1R3TAS1R1POLB
SCHEMBL4236879 0.80 TAS1R3 (0.42) TAS1R3TAS1R1MAPTSMN1; SMN2HRH3
SCHEMBL4686514 0.79 RAB9A (0.41) PKMRAB9APOLBMAPTSMN1; SMN2

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