SCHEMBL27685191

SCHEMBL27685191

CCC(c1ccccc1)N(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
HTR2A P28223 2/20 0.40
HRH1 P35367 2/20 0.40
TRPA1 O75762 1/20 0.40
AOC3 Q16853 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCR5 P51681 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL29144175 0.81 TAAR1 (0.54) TAAR1HTR2AHRH1AOC3
SCHEMBL25125716 0.81 HTR2A (0.43) LMNATRPM8TAAR1HTR2AHRH1
SCHEMBL119104 0.77 HTR2A (0.48) LMNATRPM8HTR2AHRH1AOC3
SCHEMBL171013 0.77 HTR2A (0.48) LMNATRPM8HTR2AHRH1AOC3
SCHEMBL8926699 0.77 HTR2A (0.48) LMNATRPM8HTR2AHRH1AOC3
SCHEMBL19729279 0.76 GABBR2 (0.46) MAPT
SCHEMBL1031859 0.76 LMNA (0.52) LMNATRPM8HTR2AHRH1TRPA1
SCHEMBL8576434 0.76 LMNA (0.52) LMNATRPM8HTR2AHRH1TRPA1
Iodide SCHEMBL10962372 0.76 HTR2A (0.46) LMNATRPM8HTR2AHRH1AOC3
Hydrochloric Acid SCHEMBL14762879 0.76 TDP1 (0.50) LMNATRPM8HTR2AHRH1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104271628-A Preparation of polyisocyanates having isocyanurate groups and their use BASF SE 2015-01-07 CN claimed
CN-102216400-B Radiation curable coating materials BASF SE 2013-12-18 CN claimed
CN-102216400-A Radiation curable coating materials BASF SE 2011-10-12 CN claimed
CN-100543057-C Process for preparing isocyanurate group-containing polyisocyanates and their use BASF AG (DE) 2009-09-23 CN claimed
CN-1930200-A Process for preparing isocyanurate group-containing polyisocyanates and their use BASF AG (DE) 2007-03-14 CN claimed
CN-107815087-A The solidification composition filling of the colour stable of PIC comprising (ring) aliphatic vulcabond 巴斯夫欧洲公司 2018-03-20 CN disclosed
CN-104024296-B Color-stable curing compositions of polyisocyanates containing (cyclo) aliphatic diisocyanates 巴斯夫欧洲公司 2017-12-01 CN disclosed
CN-104271628-B Preparation of polyisocyanates containing isocyanurate group and application thereof 巴斯夫欧洲公司 2016-08-24 CN disclosed
CN-104271628-A Preparation of polyisocyanates having isocyanurate groups and their use BASF SE 2015-01-07 CN disclosed
CN-104024296-A Color-stable curing compositions of polyisocyanates containing (cyclo) aliphatic diisocyanates BASF SE 2014-09-03 CN disclosed
CN-102216400-B Radiation curable coating materials BASF SE 2013-12-18 CN disclosed
CN-102216400-A Radiation curable coating materials BASF SE 2011-10-12 CN disclosed
CN-101069129-B Radiation-curable coating substances BASF AG 2010-12-08 CN disclosed
CN-100543057-C Process for preparing isocyanurate group-containing polyisocyanates and their use BASF AG (DE) 2009-09-23 CN disclosed
CN-101069129-A Radiation-curable coating substances BASF AG (DE) 2007-11-07 CN disclosed
CN-1930200-A Process for preparing isocyanurate group-containing polyisocyanates and their use BASF AG (DE) 2007-03-14 CN disclosed