SCHEMBL7769378

SCHEMBL7769378

O=C(CCCCN(CCCl)Cc1ccccc1)NC1CCCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.65
EPHX2 P34913 2/20 0.63
HDAC3 O15379 5/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC8 Q9BY41 3/20 0.55
NCOR2 Q9Y618 2/20 0.55
ICMT O60725 1/20 0.54
ALB P02768 1/20 0.54
HDAC6 Q9UBN7 3/20 0.52
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7566432 1.00 EPHX1 (0.65) EPHX1EPHX2HDAC3HDAC1HDAC2
SCHEMBL7568943 0.96 EPHX2 (0.64) EPHX1EPHX2HDAC3HDAC1HDAC2
SCHEMBL7764576 0.92 EPHX1 (0.64) EPHX1EPHX2HDAC3HDAC1HDAC2
SCHEMBL7568901 0.92 EPHX1 (0.64) EPHX1EPHX2HDAC3HDAC1HDAC2
SCHEMBL7764577 0.83 BCHE (0.56) EPHX1EPHX2HDAC3HDAC1HDAC2
SCHEMBL12196026 0.79 EPHX1 (1.00) EPHX1EPHX2HDAC1HDAC2SMN1; SMN2
SCHEMBL8022082 0.78 EPHX1 (0.48) EPHX1EPHX2HDAC3HDAC1HDAC2
SCHEMBL8565479 0.78 EPHX1 (0.48) EPHX1EPHX2HDAC3HDAC1HDAC2
SCHEMBL22301532 0.78 EPHX1 (0.97) EPHX1EPHX2HDAC3HDAC1HDAC2
SCHEMBL12932000 0.78 EPHX2 (1.00) EPHX1EPHX2HDAC3HDAC1HDAC2

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 5 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 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