SCHEMBL7750366

SCHEMBL7750366

N#CC(CCOC(=O)c1ccccc1)(OC1CCCCO1)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
PLA2G7 Q13093 1/20 0.32
IDO1 P14902 1/20 0.32
RAB9A P51151 1/20 0.32
DPP4 P27487 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL14180275 0.88 SCN1A (0.38) SCN1ASCN2ASCN3ATDP1MEN1
SCHEMBL4631283 0.88 SSTR3 (0.39) SCN1ASCN2ASCN3ATDP1MEN1
SCHEMBL4631236 0.83 TDP1 (0.35) SCN1ASCN2ASCN3ATDP1MEN1
SCHEMBL7750432 0.82 SCN1A (0.38) SCN1ASCN2ASCN3ATDP1MEN1
SCHEMBL14180271 0.71 ALDH1A1 (0.37) SCN1ASCN2ASCN3ATDP1MEN1
SCHEMBL8969658 0.71 SLC6A3 (0.36) TDP1MEN1KMT2A
SCHEMBL7768719 0.70 MEN1 (0.40) MEN1KMT2AIDO1RAB9A
SCHEMBL4631797 0.70 SSTR3 (0.39) SCN1ASCN2ASCN3ATDP1MEN1
SCHEMBL4631609 0.67 TDP1 (0.39) SCN1ASCN2ASCN3ATDP1MEN1
SCHEMBL8366554 0.67 MEN1 (0.36) MEN1KMT2AIDO1RAB9A

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