SCHEMBL7565853

SCHEMBL7565853

O=C(NCCCCNCCOc1ccc2cccc(O)c2n1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
NAAA Q02083 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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 0.81 POLB (0.60) MCHR1SMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL7130472 0.81 DRD2 (0.55) SMN1; SMN2NPC1HPGDRAB9ADRD2
SCHEMBL7570866 0.74 NPC1 (0.49) MCHR1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL7129424 0.72 NPC1 (0.65) NPC1HPGDRAB9ADRD2DRD4
SCHEMBL7565857 0.71 HTR1A (0.48) MCHR1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL15056882 0.71 PIM1 (0.51) SMN1; SMN2HDAC1HDAC2HDAC8HDAC6
SCHEMBL19463672 0.70 KMT2A (0.60) SMN1; SMN2NPC1HPGDRAB9AHDAC1
SCHEMBL29222729 0.70 KDM4E (0.53) SMN1; SMN2NPC1HPGDRAB9AHDAC8
SCHEMBL20696658 0.69 MCHR1 (0.54) MCHR1NPC1HPGDRAB9AHDAC8
SCHEMBL8779817 0.68 HDAC1 (0.79) SMN1; SMN2NPC1HPGDRAB9AHDAC1

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