SCHEMBL4686644

SCHEMBL4686644

CCCCCNC(=O)Nc1ccc(Oc2ccc(N(CCOC)C(=O)c3ccc(OC4CCNCC4)cc3)cc2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
QPCT Q16769 5/20 0.39
KDR P35968 2/20 0.38
TOP2A P11388 1/20 0.37
FGFR1 P11362 1/20 0.37
MCHR1 Q99705 4/20 0.36
PDE4A P27815 1/20 0.36
EPHX1 P07099 2/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL4688912 0.90 QPCT (0.39) MEN1GAAMAPTHTTKMT2A
SCHEMBL4687360 0.90 CCR3 (0.43) MEN1GAAMAPTHTTKMT2A
SCHEMBL4687180 0.88 CCR3 (0.41) MEN1GAAMAPTHTTKMT2A
SCHEMBL4235345 0.87 PKM (0.38) MEN1GAAMAPTHTTKMT2A
SCHEMBL4683459 0.87 MAPT (0.45) MEN1GAAMAPTHTTKMT2A
SCHEMBL4683109 0.86 CCR3 (0.43) MEN1GAAMAPTHTTKMT2A
SCHEMBL4688218 0.85 CCR3 (0.43) MEN1MAPTHTTKMT2AQPCT
SCHEMBL4683361 0.83 CCR3 (0.43) QPCTKDRMCHR1
SCHEMBL4687031 0.82 NAMPT (0.44) MEN1GAAMAPTHTTKMT2A
SCHEMBL4233925 0.81 PKM (0.39) MEN1GAAMAPTHTTKMT2A

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