SCHEMBL4686265

SCHEMBL4686265

CCCCCNC(=O)Nc1ccc(Oc2ccc(C(N)=O)c(F)c2)c(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.46
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.43
MCHR1 Q99705 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PNLIP P16233 1/20 0.41
TBXA2R P21731 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KDR P35968 1/20 0.41
ESRRA P11474 1/20 0.41
PTPN1 P18031 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL4784128 0.89 EPHX1 (0.47) EPHX1KMT2AEPHX2HDAC1HDAC2
SCHEMBL4682919 0.85 HDAC1 (0.51) EPHX1KMT2AEPHX2HDAC1HDAC2
SCHEMBL4683265 0.85 EPHX1 (0.46) EPHX1KMT2AEPHX2MCHR1TBXA2R
SCHEMBL4226994 0.84 PKM (0.46) KMT2AMCHR1ALDH1A1MEN1
SCHEMBL4787476 0.83 EPHX1 (0.52) EPHX1KMT2AEPHX2MCHR1HDAC1
SCHEMBL4787221 0.81 EPHX1 (0.52) EPHX1KMT2AEPHX2MCHR1PNLIP
SCHEMBL4786697 0.80 EPHX1 (0.48) EPHX1KMT2AEPHX2MCHR1PNLIP
SCHEMBL4786985 0.79 QPCT (0.46) EPHX1EPHX2HDAC1HDAC2KDR
SCHEMBL4787754 0.78 TBXA2R (0.62) EPHX1KMT2ATBXA2RMEN1
SCHEMBL4687419 0.77 MEN1 (0.56) EPHX1KMT2AEPHX2HDAC1HDAC2

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 4 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 claimed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO claimed
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