SCHEMBL4785963

SCHEMBL4785963

CCC(CC)NC(=O)Nc1ccc(Oc2ccc([AsH2])cc2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.63
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
POLB P06746 3/20 0.47
MAPK1 P28482 1/20 0.43
FPR2 P25090 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK14 Q16539 5/20 0.39
MAPK13 O15264 1/20 0.39

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
SCHEMBL4236455 0.88 PKM (0.63) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4240208 0.86 PKM (0.63) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4240960 0.84 PKM (0.58) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4744588 0.84 PKM (0.57) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4240206 0.84 PKM (0.60) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4785970 0.80 EPHX2 (0.56) POLBRAB9A
SCHEMBL4233787 0.78 PKM (0.56) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4233255 0.76 PKM (0.59) PKMTAS1R3TAS1R1MAPK1NPC1
SCHEMBL4228345 0.75 MAPT (0.53) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4226776 0.74 PKM (0.54) PKMTAS1R3TAS1R1POLBMAPK1

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