SCHEMBL4688997

SCHEMBL4688997

CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)O)c(F)c2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PNLIP P16233 2/20 0.49
EPHX1 P07099 8/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
TBXA2R P21731 1/20 0.42

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
SCHEMBL4683265 0.89 EPHX1 (0.46) EPHX2KMT2AEPHX1NPC1RAB9A
SCHEMBL4787430 0.87 EPHX2 (0.54) EPHX2MEN1KMT2APNLIPEPHX1
SCHEMBL4688990 0.83 PKM (0.50) MEN1KMT2APNLIPNPC1RAB9A
SCHEMBL4783970 0.81 EPHX2 (0.60) EPHX2MEN1KMT2APNLIPEPHX1
SCHEMBL4785405 0.81 EPHX2 (0.60) EPHX2MEN1KMT2APNLIPEPHX1
SCHEMBL4686717 0.81 EPHX2 (0.60) EPHX2MEN1KMT2APNLIPEPHX1
SCHEMBL4686797 0.79 CCR3 (0.50) EPHX2MEN1KMT2APNLIPALDH1A1
SCHEMBL4686866 0.79 CCR3 (0.44) EPHX2MEN1KMT2APNLIP
SCHEMBL4783512 0.78 EPHX2 (0.49) EPHX2MEN1KMT2ARAB9ATBXA2R
SCHEMBL6566860 0.77 EPHX2 (0.69) EPHX2MEN1KMT2AEPHX1NPC1

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