SCHEMBL8764136

SCHEMBL8764136

CC(Cc1ccccc1)SC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
TAAR1 Q96RJ0 4/20 0.47
SIGMAR1 Q99720 4/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
MAOA P21397 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CYP2D6 P10635 2/20 0.44
SLC18A2 Q05940 1/20 0.44
TRPA1 O75762 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL8763209 0.90 SLC6A4 (0.36) MAOBTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8763195 0.82 CYP1A1 (0.34) MAOBTAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL27865935 0.76 SIGMAR1 (0.56) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6011566 0.76 SIGMAR1 (0.56) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL14680284 0.76 EPHX1 (0.40) MAOBTAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL13242159 0.74 SIGMAR1 (0.54) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL12327240 0.74 SIGMAR1 (0.54) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
Water SCHEMBL28679997 0.73 MAOB (0.38) MAOBTAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL28527687 0.73 EPHX1 (0.42) MAOBTAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL1752148 0.72 SIGMAR1 (0.52) MAOBTAAR1SIGMAR1SLC6A2SLC6A4

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
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed