SCHEMBL7128499

SCHEMBL7128499

COc1ccccc1OCCNCCCCNC(=O)C1CC2CCC1C2

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HTR1A P08908 5/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
ADRB2 P07550 2/20 0.46

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 0.81 KMT2A (0.82) KMT2AHPGDALDH1A1HSD17B10MTNR1A
SCHEMBL7129757 0.81 KMT2A (0.82) KMT2AHPGDALDH1A1HSD17B10MTNR1A
SCHEMBL8073266 0.77 HTR1D (0.59) KMT2AALDH1A1HSD17B10MTNR1AMTNR1B
SCHEMBL2159809 0.75 KMT2A (0.54) KMT2AHPGDALDH1A1MTNR1AMTNR1B
SCHEMBL7129424 0.74 NPC1 (0.65) HPGDALDH1A1HSD17B10MTNR1AMTNR1B
SCHEMBL7768176 0.71 ALDH1A1 (0.62) KMT2AHPGDALDH1A1HSD17B10HTR1A
SCHEMBL7768185 0.70 ALDH1A1 (0.64) KMT2AHPGDPOLBALDH1A1HSD17B10
SCHEMBL7764603 0.70 ALDH1A1 (0.64) KMT2AHPGDPOLBALDH1A1HSD17B10
SCHEMBL7409161 0.69 HTR1A (0.65) ALDH1A1HSD17B10MTNR1AMTNR1BHTR1A
SCHEMBL7769386 0.68 ALDH1A1 (0.53) KMT2AHPGDPOLBALDH1A1HSD17B10

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