SCHEMBL7751872

SCHEMBL7751872

N#CC(CO)(CCCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4C Q9H3R0 1/20 0.35
KCNA5 P22460 1/20 0.34
SCN5A Q14524 1/20 0.34
EPHA2 P29317 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A3 Q01959 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
AR P10275 2/20 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
SCHEMBL7749143 0.94 MEN1 (0.36) MEN1KMT2AKDM4CKCNA5SCN5A
SCHEMBL8207606 0.93 MEN1 (0.39) MEN1KMT2AKDM4CKCNA5SCN5A
SCHEMBL7958095 0.88 MEN1 (0.44) MEN1KMT2AKDM4CKCNA5SCN5A
SCHEMBL8124689 0.88 MEN1 (0.43) MEN1KMT2AKDM4CKCNA5SCN5A
SCHEMBL7426709 0.88 MEN1 (0.43) MEN1KMT2AKDM4CKCNA5SCN5A
SCHEMBL4678659 0.86 MEN1 (0.40) MEN1KMT2AKDM4CEPHA2SLC6A3
SCHEMBL7956480 0.84 MEN1 (0.39) MEN1KMT2AKDM4CEPHA2SLC6A3
SCHEMBL6543753 0.84 MEN1 (0.38) MEN1KMT2AEPHA2SLC6A3
SCHEMBL8484373 0.84 MEN1 (0.38) MEN1KMT2AKDM4CEPHA2SLC6A3
SCHEMBL7765828 0.84 MEN1 (0.41) MEN1KMT2AKDM4CKCNA5SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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