SCHEMBL4630770

SCHEMBL4630770

O=C(OCCC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)Cc2cccc(Cl)c2)CCO1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
TACR2 P21452 2/20 0.40
TACR1 P25103 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ATM Q13315 1/20 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
SCHEMBL6665548 0.93 KMT2A (0.40) KMT2ATACR2TACR1SIGMAR1
SCHEMBL4941446 0.89 TACR2 (0.40) KMT2ATACR2TACR1
SCHEMBL6666806 0.89 TACR2 (0.40) KMT2ATACR2TACR1
SCHEMBL4941557 0.88 TACR2 (0.39) KMT2ATACR2TACR1
SCHEMBL6661500 0.87 KMT2A (0.38) KMT2ATACR2TACR1
SCHEMBL4631723 0.85 KMT2A (0.47) KMT2ATACR2TACR1SIGMAR1ATM
SCHEMBL4631761 0.85 TACR2 (0.49) TACR2TACR1
SCHEMBL4631235 0.84 KMT2A (0.41) KMT2ATACR2TACR1
SCHEMBL4630817 0.80 TACR2 (0.40) KMT2ATACR2TACR1SIGMAR1
SCHEMBL4631771 0.80 TACR2 (0.43) TACR2TACR1

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-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-1156049-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2001-11-21 EP 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