SCHEMBL4785405

SCHEMBL4785405

CCCCCNC(=O)Nc1ccc(Oc2ccc(NCC)cc2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.60
PNLIP P16233 3/20 0.57
EPHX1 P07099 9/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL4783970 0.89 EPHX2 (0.60) EPHX2PNLIPEPHX1MEN1KMT2A
SCHEMBL4686717 0.89 EPHX2 (0.60) EPHX2PNLIPEPHX1MEN1KMT2A
SCHEMBL4787221 0.87 EPHX1 (0.52) EPHX2PNLIPEPHX1KMT2AALDH1A1
SCHEMBL4787374 0.87 KDR (0.54) EPHX2EPHX1MEN1KMT2AALDH1A1
SCHEMBL6566860 0.83 EPHX2 (0.69) EPHX2EPHX1MEN1KMT2AALDH1A1
SCHEMBL4787430 0.83 EPHX2 (0.54) EPHX2PNLIPEPHX1MEN1KMT2A
SCHEMBL4688997 0.81 EPHX2 (0.55) EPHX2PNLIPEPHX1MEN1KMT2A
SCHEMBL4238208 0.80 PKM (0.53) PNLIPHTT
SCHEMBL4787261 0.78 KDR (0.52) EPHX2PNLIPEPHX1MEN1KMT2A
SCHEMBL11832585 0.78 MEN1 (0.68) MEN1KMT2AALDH1A1HTT

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