SCHEMBL3674175

SCHEMBL3674175

CCc1c(CN)cccc1Cc1cccc(CN)c1CC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.44
GABRB2 P47870 4/20 0.44
PNMT P11086 3/20 0.41
DPP4 P27487 2/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
HTR1A P08908 1/20 0.34
TLR8 Q9NR97 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33

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
SCHEMBL3967214 0.88 GABRA1 (0.46) GABRA1GABRB2PNMTDPP4KCNH2
Water SCHEMBL5507579 0.86 GABRA1 (0.44) GABRA1GABRB2PNMTDPP4KCNH2
SCHEMBL3670661 0.86 TAAR1 (0.41) GABRA1GABRB2PNMTTAAR1TLR8
SCHEMBL8051825 0.83 GABRA1 (0.56) GABRA1GABRB2KCNH2SCN5ATAAR1
SCHEMBL3811653 0.83 GABRA1 (0.41) GABRA1GABRB2PNMTDPP4
SCHEMBL3668917 0.83 PNMT (0.39) GABRA1GABRB2PNMTDPP4TAAR1
SCHEMBL6308607 0.80 PNMT (0.40) GABRA1GABRB2PNMTDPP4
SCHEMBL3670219 0.79 TLR8 (0.43) GABRA1GABRB2PNMTTAAR1TLR8
SCHEMBL12082037 0.79 GABRA1 (0.46) GABRA1GABRB2PNMTDPP4KCNH2
SCHEMBL27517025 0.78 PNMT (0.59) GABRA1GABRB2PNMTDPP4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed