SCHEMBL7129757

SCHEMBL7129757

COc1ccccc1OCCNCCCCNC(=O)C1CCCCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.82
DRD2 P14416 1/20 0.58
ADRA1A P35348 1/20 0.58
DRD3 P35462 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.56
EPHX2 P34913 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
MEN1 O00255 1/20 0.51
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
HTR1A P08908 1/20 0.50

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
SCHEMBL7121410 1.00 KMT2A (0.82) KMT2ADRD2ADRA1ADRD3SMN1; SMN2
SCHEMBL7128499 0.81 KMT2A (0.54) KMT2AADRA1AALDH1A1HSD17B10HPGD
SCHEMBL7768185 0.80 ALDH1A1 (0.64) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7764603 0.80 ALDH1A1 (0.64) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7566258 0.80 KMT2A (0.53) KMT2ADRD2ADRA1ADRD3SMN1; SMN2
SCHEMBL7768176 0.79 ALDH1A1 (0.62) KMT2AADRA1ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7129424 0.77 NPC1 (0.65) DRD2ADRA1ADRD3NPC1RAB9A
SCHEMBL8073266 0.76 HTR1D (0.59) KMT2AADRA1AALDH1A1HSD17B10MTNR1A
SCHEMBL23975373 0.75 SMN1; SMN2 (0.89) KMT2ASMN1; SMN2NPC1PKMEPHX2
SCHEMBL22652025 0.73 NAAA (0.63) KMT2ASMN1; SMN2NPC1PKMEPHX2

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