SCHEMBL7130472

SCHEMBL7130472

O=C(NCCCCNCCOc1ccccc1O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.54
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
NAAA Q02083 1/20 0.50
KDM4E B2RXH2 4/20 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
SCHEMBL7129424 0.86 NPC1 (0.65) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL7565853 0.81 MCHR1 (0.48) DRD2DRD4DRD3NPC1SMN1; SMN2
SCHEMBL7570866 0.80 NPC1 (0.49) DRD2DRD4DRD3NPC1SMN1; SMN2
SCHEMBL7564124 0.80 POLB (0.60) NPC1SMN1; SMN2RAB9AHDAC6KDM4E
SCHEMBL7565857 0.79 HTR1A (0.48) DRD2DRD4DRD3NPC1SMN1; SMN2
SCHEMBL8779817 0.76 HDAC1 (0.79) NPC1SMN1; SMN2RAB9AHPGDHDAC1
SCHEMBL9489804 0.74 HDAC1 (0.82) NPC1SMN1; SMN2RAB9AHDAC1HDAC2
SCHEMBL9188890 0.74 HDAC1 (0.82) NPC1SMN1; SMN2RAB9AHDAC1HDAC2
SCHEMBL20734829 0.74 HDAC1 (0.82) NPC1SMN1; SMN2RAB9AHDAC1HDAC2
SCHEMBL7460068 0.74 HDAC1 (0.82) NPC1SMN1; SMN2RAB9AHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670400-B1 Secretion inhibitors for gastric acid, antiemetics; N(4-(2-(2-methoxyphenoxy)ethyl)aminobutyl)benzamide; SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-12-30 US claimed
EP-0820434-B1 PHENOXYETHYLAMINE DERIVATIVES HAVING HIGH AFFINITY FOR THE 5-HT 1A RECEPTOR, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SOD CONSEILS RECH APPLIC (FR) 2000-08-09 EP claimed
EP-0820434-A1 PHENOXYETHYLAMINE DERIVATIVES HAVING HIGH AFFINITY FOR THE 5-HT 1A RECEPTOR, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-01-28 EP claimed
WO-1996031461-A1 PHENOXYETHYLAMINE DERIVATIVES HAVING HIGH AFFINITY FOR THE 5-HT1A RECEPTOR, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1996-10-10 WO claimed
US-6670400-B1 Secretion inhibitors for gastric acid, antiemetics; N(4-(2-(2-methoxyphenoxy)ethyl)aminobutyl)benzamide; SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-12-30 US disclosed
EP-0820434-B1 PHENOXYETHYLAMINE DERIVATIVES HAVING HIGH AFFINITY FOR THE 5-HT 1A RECEPTOR, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SOD CONSEILS RECH APPLIC (FR) 2000-08-09 EP disclosed
EP-0820434-A1 PHENOXYETHYLAMINE DERIVATIVES HAVING HIGH AFFINITY FOR THE 5-HT 1A RECEPTOR, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-01-28 EP disclosed
WO-1996031461-A1 PHENOXYETHYLAMINE DERIVATIVES HAVING HIGH AFFINITY FOR THE 5-HT1A RECEPTOR, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1996-10-10 WO disclosed