SCHEMBL7768489

SCHEMBL7768489

CC(C)(C)CNC(=O)CCCCNCCOc1ccccc1NC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.43
HDAC1 Q13547 6/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
BCHE P06276 1/20 0.42
CHRM2 P08172 1/20 0.42
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
NLRP1 Q9C000 1/20 0.40
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39

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 0.87 ALDH1A1 (0.53) KMT2ABCHECHRM2ACHEPOLB
SCHEMBL7772444 0.82 MAPT (0.46) HDAC3HDAC1KMT2AMEN1KDM4E
SCHEMBL7768170 0.81 ALDH1A1 (0.47) HDAC3HDAC1KMT2AMEN1KDM4E
SCHEMBL7567224 0.77 POLB (0.48) HDAC3HDAC1KMT2AMEN1KDM4E
SCHEMBL7565657 0.77 HTR1A (0.45) HDAC3HDAC1KMT2AMEN1KDM4E
SCHEMBL7768178 0.75 MAPT (0.57) HDAC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL7764594 0.74 MAPT (0.46) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL13721 0.73 MTNR1A (0.53) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL7764591 0.73 ALDH1A1 (0.55) KDM4EL3MBTL1BCHECHRM2ACHE
SCHEMBL13649 0.72 MTNR1A (0.68) KMT2AMEN1KDM4EL3MBTL1POLB

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