SCHEMBL7564124

SCHEMBL7564124

O=C(NCCCCNCCOc1cccc2cccnc12)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 1/20 0.58
MCHR1 Q99705 6/20 0.55
GLRA3 O75311 1/20 0.53
GLRB P48167 1/20 0.53
HTR1A P08908 1/20 0.53
HDAC6 Q9UBN7 2/20 0.51
LMNA P02545 1/20 0.51
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7570866 0.87 NPC1 (0.49) POLBMEN1KMT2AKDM4EMAPK1
SCHEMBL7565857 0.83 HTR1A (0.48) KMT2AKDM4EMCHR1HTR1ALMNA
SCHEMBL7566488 0.82 HTR1A (0.53) POLBMEN1KMT2AKDM4EMAPK1
SCHEMBL7565815 0.82 POLB (0.52) POLBMEN1KMT2AKDM4EMAPK1
SCHEMBL7573340 0.82 POLB (0.50) POLBMEN1KMT2AKDM4EMAPK1
SCHEMBL7565853 0.81 MCHR1 (0.48) KDM4EMCHR1HDAC6RAB9ANPC1
SCHEMBL7130472 0.80 DRD2 (0.55) KDM4EHDAC6RAB9AALDH1A1NPC1
SCHEMBL1101354 0.80 RAB9A (0.60) POLBMEN1KMT2AKDM4EMAPK1
SCHEMBL7566258 0.79 KMT2A (0.53) POLBMEN1KMT2AKDM4EMAPK1
SCHEMBL7129424 0.79 NPC1 (0.65) KDM4EHTR1ARAB9AALDH1A1NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929525-B1 HETEROARYLOXYETHYLAMINES AS 5-HT1A RECEPTOR LIGANDS SOD CONSEILS RECH APPLIC (FR) 2002-09-04 EP claimed
EP-0929525-A2 NOVEL HETEROARYLOXYETHYLAMINES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-07-21 EP claimed
WO-1998013349-A2 HETEROARYLOXYETHYLAMINES AS 5-HT1A LIGANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-04-02 WO claimed
EP-0929525-B1 HETEROARYLOXYETHYLAMINES AS 5-HT1A RECEPTOR LIGANDS SOD CONSEILS RECH APPLIC (FR) 2002-09-04 EP disclosed
US-6063784-A HYPOTENSIVE AGENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S. ) (FR) 2000-05-16 US disclosed
EP-0929525-A2 NOVEL HETEROARYLOXYETHYLAMINES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-07-21 EP disclosed
WO-1998013349-A2 HETEROARYLOXYETHYLAMINES AS 5-HT1A LIGANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-04-02 WO disclosed