SCHEMBL4688912

SCHEMBL4688912

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.39
KDR P35968 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.37
TOP2A P11388 1/20 0.36
FGFR1 P11362 1/20 0.35
EPHX1 P07099 2/20 0.35
PDGFRA P16234 1/20 0.35
TBXA2R P21731 1/20 0.34

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
SCHEMBL4686644 0.90 MEN1 (0.40) QPCTKDRMEN1GAAMAPT
SCHEMBL4686834 0.90 CCR3 (0.43) QPCTKDRMEN1GAAMAPT
SCHEMBL4686897 0.90 RAB9A (0.38) QPCTKDRMEN1GAAMAPT
SCHEMBL4238039 0.88 PKM (0.39) QPCTMEN1GAAMAPTHTT
SCHEMBL4688941 0.87 CCR3 (0.41) QPCTKDR
SCHEMBL4683459 0.85 MAPT (0.45) QPCTKDRMEN1GAAMAPT
SCHEMBL4687031 0.80 NAMPT (0.44) QPCTKDRMEN1GAAMAPT
SCHEMBL4687360 0.80 CCR3 (0.43) QPCTMEN1GAAMAPTHTT
SCHEMBL4226786 0.80 SMN1; SMN2 (0.42) MEN1GAAMAPTHTTKMT2A
SCHEMBL4683361 0.80 CCR3 (0.43) QPCTKDR

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