SCHEMBL4787221

SCHEMBL4787221

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.52
KMT2A Q03164 1/20 0.48
EPHX2 P34913 3/20 0.48
TBXA2R P21731 1/20 0.47
KDR P35968 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.45
MCHR1 Q99705 1/20 0.45
PNLIP P16233 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
SCHEMBL4787374 0.91 KDR (0.54) EPHX1KMT2AEPHX2KDRALDH1A1
SCHEMBL4786697 0.90 EPHX1 (0.48) EPHX1KMT2AEPHX2TBXA2RKDR
SCHEMBL4787476 0.89 EPHX1 (0.52) EPHX1KMT2AEPHX2TBXA2RKDR
SCHEMBL4682919 0.87 HDAC1 (0.51) EPHX1KMT2AEPHX2TBXA2RKDR
SCHEMBL4785405 0.87 EPHX2 (0.60) EPHX1KMT2AEPHX2ALDH1A1HTT
SCHEMBL4787754 0.85 TBXA2R (0.62) EPHX1KMT2ATBXA2RMAPT
SCHEMBL4787668 0.83 MAPT (0.51) EPHX1EPHX2TBXA2RKDRALDH1A1
SCHEMBL4788099 0.83 KDR (0.50) EPHX1KMT2AEPHX2TBXA2RKDR
SCHEMBL4784128 0.83 EPHX1 (0.47) EPHX1KMT2AEPHX2TBXA2RKDR
SCHEMBL4787261 0.82 KDR (0.52) EPHX1KMT2AEPHX2TBXA2RKDR

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