SCHEMBL6891739

SCHEMBL6891739

CCCNC(C)(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.48
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SCN3A Q9NY46 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KIF11 P52732 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
MAPK1 P28482 1/20 0.38
DPP4 P27487 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
NR3C2 P08235 1/20 0.37
OPRM1 P35372 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL11922815 0.88 KCNN4 (0.45) KCNN4LMNAHTTL3MBTL1KIF11
Bromide SCHEMBL28991574 0.86 KCNN4 (0.44) KCNN4LMNAHTTL3MBTL1KIF11
SCHEMBL3170588 0.84 NAAA (0.45) KCNN4HTTSIGMAR1
SCHEMBL8913044 0.84 NAAA (0.45) KCNN4HTTSIGMAR1
SCHEMBL483594 0.84 NAAA (0.45) KCNN4HTTSIGMAR1
SCHEMBL525869 0.84 NAAA (0.45) KCNN4HTTSIGMAR1
SCHEMBL27724922 0.84 NAAA (0.45) KCNN4HTTSIGMAR1
Hydrochloric Acid SCHEMBL97019 0.83 NAAA (0.44) KCNN4HTTSIGMAR1
Hydrochloric Acid SCHEMBL1845659 0.83 NAAA (0.44) KCNN4HTTSIGMAR1
Bromide SCHEMBL961320 0.83 NAAA (0.44) KCNN4HTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972333-B1 METHODS AND SYSTEMS FOR ENHANCED FLUID TRANSPORT CALIPER LIFE SCIENCES INC (US) 2004-11-24 EP claimed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed
US-11118103-B2 Composition comprising ultrafine cellulose fibers Oji Holdings Corporation (JP) 2021-09-14 US disclosed
US-10703955-B2 Composition comprising ultrafine cellulose fibers Oji Holdings Corporation (JP) 2020-07-07 US disclosed
EP-3208323-A1 COMPOSITION INCLUDING FINE CELLULOSE FIBER Oji Holdings Corporation (JP) 2017-08-23 EP disclosed
US-20170226398-A1 COMPOSITION CONTAINING MINUTE CELLULOSE FIBERS Oji Holdings Corporation (JP) 2017-08-10 US disclosed
US-20170226407-A1 COMPOSITION COMPRISING ULTRAFINE CELLULOSE FIBERS Oji Holdings Corporation (JP) 2017-08-10 US disclosed
CN-102575430-B Method for producing microfibrous cellulose composite sheet and method for producing microfibrous cellulose composite sheet laminate OJI HOLDINGS CORP 2014-07-30 CN disclosed
CN-102575430-A Method for producing microfibrous cellulose composite sheet and method for producing microfibrous cellulose composite sheet laminate OJI PAPER CO 2012-07-11 CN disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
EP-0405986-A2 method of processing presensitized lithographic printing plate KONICA CORPORATION (JP) 1991-01-02 EP disclosed