SCHEMBL4687771

SCHEMBL4687771

CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCNCC4)cc3)cc2)c(COC)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.41
EPHX1 P07099 3/20 0.39
KDR P35968 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL4683459 0.91 MAPT (0.45) TOP2AKDRMEN1KMT2AMAPT
SCHEMBL4684667 0.90 TOP2A (0.44) TOP2AEPHX1BCL9CTNNB1HDAC1
SCHEMBL4688687 0.89 CCR3 (0.48) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4234174 0.86 PKM (0.43) TOP2AFAAHEPHX2KDM1AMAOA
SCHEMBL4687031 0.84 NAMPT (0.44) TOP2AKDRBCL9CTNNB1MEN1
SCHEMBL4687969 0.83 CCR3 (0.39) TOP2ABCL9CTNNB1SMN1; SMN2FAAH
SCHEMBL4686982 0.83 CCR3 (0.49) MEN1KMT2AMAPT
SCHEMBL4686839 0.82 CCR3 (0.46) MEN1KMT2AMAPTRAB9AEPHX2
SCHEMBL4687749 0.80 EPHX1 (0.49) EPHX1KDRHDAC1HDAC2KMT2A
SCHEMBL4783961 0.80 EPHX1 (0.49) EPHX1KDRHDAC1HDAC2MAPT

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