SCHEMBL7768170

SCHEMBL7768170

CNC(=O)c1ccccc1OCCNCCCCC(=O)NCC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HCRTR1 O43613 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 4/20 0.42
BCHE P06276 1/20 0.42
CHRM2 P08172 1/20 0.42
ACHE P22303 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL7769386 0.84 ALDH1A1 (0.53) ALDH1A1KMT2ABCHECHRM2ACHE
SCHEMBL7768489 0.81 HDAC3 (0.43) ALDH1A1HDAC3HDAC1KMT2AMEN1
SCHEMBL7768166 0.79 MAOB (0.47) ALDH1A1HDAC3KMT2AMEN1KDM4E
SCHEMBL7768515 0.78 SGMS2 (0.52) ALDH1A1KMT2AMEN1TSHRHPGD
SCHEMBL7567224 0.77 POLB (0.48) ALDH1A1HDAC3HDAC1KMT2AMEN1
SCHEMBL7565657 0.77 HTR1A (0.45) ALDH1A1HDAC3HDAC1KMT2AMEN1
SCHEMBL7768178 0.73 MAPT (0.57) ALDH1A1HDAC1KMT2AMEN1
SCHEMBL7764594 0.72 MAPT (0.46) ALDH1A1KMT2AMEN1HIF1AKDM4E
SCHEMBL7772444 0.72 MAPT (0.46) ALDH1A1HDAC3HDAC1KMT2AMEN1
SCHEMBL10102718 0.71 ALDH1A1 (0.67) ALDH1A1HDAC3HDAC1HCRTR1KMT2A

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