SCHEMBL7769386

SCHEMBL7769386

COc1ccccc1OCCNCCCCC(=O)NCC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
BCHE P06276 1/20 0.53
CHRM2 P08172 1/20 0.53
ACHE P22303 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
RAB9A P51151 2/20 0.51
ADRB2 P07550 5/20 0.50
HTR1A P08908 3/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.46
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 1/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45

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
SCHEMBL7768489 0.87 HDAC3 (0.43) ALDH1A1BCHECHRM2ACHEPOLB
SCHEMBL7764591 0.86 ALDH1A1 (0.55) ALDH1A1HSD17B10BCHECHRM2ACHE
SCHEMBL7768170 0.84 ALDH1A1 (0.47) ALDH1A1BCHECHRM2ACHEPOLB
SCHEMBL7565657 0.81 HTR1A (0.45) ALDH1A1BCHECHRM2ACHEHTR1A
SCHEMBL7567224 0.81 POLB (0.48) ALDH1A1RAB9AHTR1APOLBLMNA
SCHEMBL7764594 0.78 MAPT (0.46) ALDH1A1LMNAKMT2AHPGD
SCHEMBL7772444 0.78 MAPT (0.46) ALDH1A1KMT2AHPGD
SCHEMBL7768176 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10HTR1AADRA1DADRA1A
SCHEMBL7768185 0.76 ALDH1A1 (0.64) ALDH1A1HSD17B10RAB9APOLBLMNA
SCHEMBL7764603 0.76 ALDH1A1 (0.64) ALDH1A1HSD17B10RAB9APOLBLMNA

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-0929515-B1 NOVEL PHENOXYETHYLAMINE DERIVATIVES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CONSEILS DE RECH S SOC D (FR) 2001-06-20 EP claimed
US-5998666-A ANTIULCER, ANTISECRETORY AGENTS; ANTIEMITIC SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1999-12-07 US claimed
EP-0929515-B1 NOVEL PHENOXYETHYLAMINE DERIVATIVES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CONSEILS DE RECH S SOC D (FR) 2001-06-20 EP disclosed
US-6150417-A ADMINISTERING TO WARM BLOODED ANIMALS COMPOUNDS SUCH AS N-TERT-BUTYL-5-((2-(2-METHOXYPHENOXY)ETHYL)AMINO)PENTANAMIDE FOR INDUCING ANTIEMETIC ACTIVITY; TREATING ANXIETY, DEPRESSION, AND SLEEP DISORDERS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2000-11-21 US disclosed
US-5998666-A ANTIULCER, ANTISECRETORY AGENTS; ANTIEMITIC SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1999-12-07 US disclosed
EP-0929515-A1 NOVEL PHENOXYETHYLAMINE DERIVATIVES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-07-21 EP disclosed
WO-1998013337-A1 NOVEL PHENOXYETHYLAMINE DERIVATIVES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-04-02 WO disclosed