SCHEMBL7768176

SCHEMBL7768176

COc1ccccc1OCCNCCCCC(=O)NC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 1/20 0.51
ATM Q13315 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR1A P08908 1/20 0.49
BRD4 O60885 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
MEN1 O00255 1/20 0.49
EPHX1 P07099 1/20 0.49
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48

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
SCHEMBL7764603 0.99 ALDH1A1 (0.64) ALDH1A1HPGDKMT2AHSD17B10ATM
SCHEMBL7768185 0.99 ALDH1A1 (0.64) ALDH1A1HPGDKMT2AHSD17B10ATM
SCHEMBL7768515 0.84 SGMS2 (0.52) ALDH1A1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7564957 0.79 MEN1 (0.46) KMT2AMAPTHTR1ABRD4MEN1
SCHEMBL7764591 0.79 ALDH1A1 (0.55) ALDH1A1HSD17B10LMNAHTR1AADRA1D
SCHEMBL7121410 0.79 KMT2A (0.82) ALDH1A1HPGDKMT2AHSD17B10SMN1; SMN2
SCHEMBL7129757 0.79 KMT2A (0.82) ALDH1A1HPGDKMT2AHSD17B10SMN1; SMN2
SCHEMBL2750363 0.78 HPGD (0.97) ALDH1A1HPGDKMT2AHSD17B10ATM
SCHEMBL7764577 0.78 BCHE (0.56) ALDH1A1HPGDKMT2AMAPTBRD4
SCHEMBL7769386 0.77 ALDH1A1 (0.53) ALDH1A1HPGDKMT2AHSD17B10LMNA

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 9 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-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 claimed
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 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