SCHEMBL4786697

SCHEMBL4786697

CCCCCNC(=O)Nc1ccc(Oc2ccc(NCCOC)cc2)c(OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.48
KDR P35968 1/20 0.46
KMT2A Q03164 1/20 0.45
PNLIP P16233 1/20 0.45
EPHX2 P34913 2/20 0.45
TBXA2R P21731 1/20 0.44
MCHR1 Q99705 1/20 0.44
ESRRA P11474 1/20 0.44
PTPN1 P18031 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4787261 0.93 KDR (0.52) EPHX1KDRKMT2APNLIPEPHX2
SCHEMBL4787221 0.90 EPHX1 (0.52) EPHX1KDRKMT2APNLIPEPHX2
SCHEMBL4788099 0.87 KDR (0.50) EPHX1KDRKMT2APNLIPEPHX2
SCHEMBL4784915 0.86 EPHX1 (0.54) EPHX1KDRKMT2AEPHX2ALDH1A1
SCHEMBL4787476 0.85 EPHX1 (0.52) EPHX1KDRKMT2AEPHX2TBXA2R
SCHEMBL4238811 0.84 PKM (0.50) KMT2APNLIPMCHR1PTPN1TP53
SCHEMBL4682919 0.84 HDAC1 (0.51) EPHX1KDRKMT2AEPHX2TBXA2R
SCHEMBL4787374 0.83 KDR (0.54) EPHX1KDRKMT2AEPHX2ALDH1A1
SCHEMBL4787754 0.82 TBXA2R (0.62) EPHX1KMT2ATBXA2R
SCHEMBL4787668 0.82 MAPT (0.51) EPHX1KDRPNLIPEPHX2TBXA2R

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