SCHEMBL7570866

SCHEMBL7570866

O=C(NCCCCNCCOc1cccc2nccnc12)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 1/20 0.48
SLC6A4 P31645 1/20 0.48
MCHR1 Q99705 5/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
POLB P06746 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL7564124 0.87 POLB (0.60) NPC1RAB9ASMN1; SMN2HTR1AMCHR1
SCHEMBL7565857 0.86 HTR1A (0.48) NPC1HPGDRAB9ASMN1; SMN2HTR1A
SCHEMBL7130472 0.80 DRD2 (0.55) NPC1HPGDRAB9ASMN1; SMN2HDAC3
SCHEMBL7129424 0.79 NPC1 (0.65) NPC1HPGDRAB9AHTR1ADRD2
SCHEMBL7565657 0.77 HTR1A (0.45) HPGDHTR1ASLC6A4HDAC3HDAC4
SCHEMBL7565853 0.74 MCHR1 (0.48) NPC1HPGDRAB9ASMN1; SMN2MCHR1
SCHEMBL19463219 0.71 SMN1; SMN2 (0.62) NPC1HPGDRAB9ASMN1; SMN2HDAC3
SCHEMBL8779817 0.70 HDAC1 (0.79) NPC1HPGDRAB9ASMN1; SMN2HDAC3
SCHEMBL19463672 0.69 KMT2A (0.60) NPC1HPGDRAB9ASMN1; SMN2HDAC3
SCHEMBL7565815 0.69 POLB (0.52) NPC1RAB9ASMN1; SMN2HTR1APOLB

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