SCHEMBL4631315

SCHEMBL4631315

CN(C(=O)OC(C)(C)C)C(CN)(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
OPRK1 P41145 6/20 0.35
SLC6A3 Q01959 4/20 0.35
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
SIGMAR1 Q99720 4/20 0.32
OPRM1 P35372 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTOR P42345 1/20 0.32
OPRD1 P41143 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32

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
SCHEMBL4631301 0.84 MEN1 (0.36) MEN1KMT2AOPRK1SLC6A3HTR2C
SCHEMBL4630796 0.75 MEN1 (0.37) MEN1KMT2ASLC6A3SLC6A4RAB9A
SCHEMBL4631295 0.75 KDM4C (0.36) MEN1KMT2ASLC6A3SLC6A4SIGMAR1
SCHEMBL8125379 0.73 MEN1 (0.44) MEN1KMT2ASLC6A3ALDH1A1RAB9A
SCHEMBL7761430 0.73 MEN1 (0.41) MEN1KMT2ASLC6A3ALDH1A1RAB9A
SCHEMBL4631276 0.73 MEN1 (0.40) MEN1KMT2ASLC6A3RAB9AKDM4C
SCHEMBL8478563 0.72 MEN1 (0.37) MEN1KMT2AOPRK1SLC6A3SLC6A4
SCHEMBL6543937 0.72 MEN1 (0.39) MEN1KMT2AOPRK1SLC6A3SLC6A4
SCHEMBL8563201 0.71 SLC6A3 (0.43) MEN1KMT2AOPRK1SLC6A3HTR2C
SCHEMBL7765726 0.69 MEN1 (0.41) MEN1KMT2AOPRK1SLC6A3RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1923391-A1 Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. sanofi-aventis (FR) 2008-05-21 EP disclosed
EP-1688416-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them Sanofi-Aventis (FR) 2006-08-09 EP disclosed
EP-1340754-A1 Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-0807111-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
EP-1156049-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2001-11-21 EP disclosed
US-6242637-B1 USED IN TREATMENT INVOLVING THE TACHYKININ SYSTEM, SUCH AS PAIN, ALLERGY AND INFLAMMATION, CIRCULATORY, GASTROINTESTINAL, NEUROLOGICAL, AND NEUROPSYCHIATRIC DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-05 US disclosed
US-6011154-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 2000-01-04 US disclosed
US-5977359-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1999-11-02 US disclosed
US-5869663-A INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1999-02-09 US disclosed
US-5780466-A DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS SANOFI (FR) 1998-07-14 US disclosed
US-5641777-A NEUROKININ RECEPTOR ANTAGONIST SANOFI (FR) 1997-06-24 US disclosed