SCHEMBL4785258

SCHEMBL4785258

CCCCCNC(=O)Nc1cc(OC)c(Oc2ccc(NCC)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.48
EPHX2 P34913 3/20 0.47
EPHX1 P07099 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
PDGFRA P16234 2/20 0.42
TBXA2R P21731 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
MTNR1B P49286 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
SCHEMBL4683382 0.90 KDR (0.51) KDREPHX2EPHX1MEN1KMT2A
SCHEMBL4784488 0.88 EPHX2 (0.48) KDREPHX2MEN1KMT2AATM
SCHEMBL4687617 0.86 EPHX2 (0.47) KDREPHX2MEN1KMT2AATM
SCHEMBL4787374 0.85 KDR (0.54) KDREPHX2EPHX1MEN1KMT2A
SCHEMBL4787176 0.84 TBXA2R (0.57) EPHX2MEN1KMT2ATBXA2RMAPT
SCHEMBL4233572 0.83 TAS1R3 (0.55) KDRMEN1KMT2APDGFRAKDM4E
SCHEMBL4788372 0.80 LMNA (0.44) KDREPHX2MEN1KMT2AATM
SCHEMBL4787232 0.80 EPHX2 (0.48) KDREPHX2EPHX1MEN1KMT2A
SCHEMBL4787261 0.79 KDR (0.52) KDREPHX2EPHX1MEN1KMT2A
SCHEMBL4787266 0.78 EPHX2 (0.51) EPHX2EPHX1TBXA2RMAPTALDH1A1

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