SCHEMBL2467097

SCHEMBL2467097

CN(CCS)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
SIGMAR1 Q99720 2/20 0.42
AOC3 Q16853 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL28327279 0.98 TDP1 (0.43) TDP1CA12CA2CA9TAAR1
SCHEMBL11044440 0.85 CA12 (0.50) CA12CA2CA9TAAR1SIGMAR1
SCHEMBL4126571 0.83 TAAR1 (0.50) CA12CA2CA9TAAR1SIGMAR1
SCHEMBL11145951 0.80 CA12 (0.47) CA12CA2CA9TAAR1SIGMAR1
SCHEMBL13645984 0.80 SIGMAR1 (0.48) CA12CA2CA9TAAR1SIGMAR1
SCHEMBL21448012 0.79 HTR2A (0.50) CA12CA2CA9TAAR1SIGMAR1
SCHEMBL12201128 0.79 ALDH1A1 (0.48) TDP1CA12CA2CA9ALDH1A1
SCHEMBL17037834 0.78 SIGMAR1 (0.52) CA12CA2CA9TAAR1SIGMAR1
SCHEMBL21676 0.78 CA12 (0.45) CA12CA2CA9TAAR1SIGMAR1
SCHEMBL2600458 0.77 AOC3 (0.64) TAAR1SIGMAR1AOC3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670460-B1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-8642718-B2 Curable composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-02-04 US disclosed
EP-1882713-B1 CURABLE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2013-07-03 EP disclosed
US-8013084-B2 Manufacturing method and apparatus of optical material SEIKO EPSON CORPORATION (JP) 2011-09-06 US disclosed
EP-2072560-A2 Manufacturing method and apparatus of optical material SEIKO EPSON CORPORATION (JP) 2009-06-24 EP disclosed
US-20090156781-A1 Manufacturing Method and Apparatus of Optical Material SEIKO EPSON CORPORATION (JP) 2009-06-18 US disclosed
US-20090018308-A1 Curable Composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-01-15 US disclosed
EP-1882713-A1 CURABLE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-01-30 EP disclosed