SCHEMBL7566258

SCHEMBL7566258

O=C(NCCCCNCCOc1cccc2cccnc12)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 1/20 0.48
EPHX2 P34913 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR1A P08908 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
TP53 P04637 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
SCHEMBL7565611 0.90 POLB (0.47) KMT2ANPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL7564957 0.82 MEN1 (0.46) KMT2AEPHX2HTR1APOLBMEN1
SCHEMBL8519003 0.82 HTR1A (0.51) KMT2ANPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL7121410 0.80 KMT2A (0.82) KMT2ANPC1RAB9APKMEPHX2
SCHEMBL7129757 0.80 KMT2A (0.82) KMT2ANPC1RAB9APKMEPHX2
SCHEMBL7566488 0.79 HTR1A (0.53) KMT2ANPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL7564124 0.79 POLB (0.60) KMT2ANPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL7565815 0.79 POLB (0.52) KMT2ANPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL1101354 0.74 RAB9A (0.60) KMT2ANPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL7567224 0.73 POLB (0.48) KMT2ANPC1RAB9ASMN1; SMN2HTR1A

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 5 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-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