SCHEMBL8763209

SCHEMBL8763209

CC(Cc1ccc(CC(C)SC#N)cc1)SC#N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8764136 0.90 MAOB (0.47) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL8763195 0.78 CYP1A1 (0.34) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL3408264 0.70 DPP4 (0.35) TAAR1ESR1ESR2MEN1ALDH1A1
SCHEMBL8763089 0.69 ESR2 (0.42) SLC6A2SLC6A3MAOBTAAR1ESR1
SCHEMBL15096228 0.68 ALDH1A1 (0.47) SLC6A4SLC6A2SLC6A3MAOAESR1
SCHEMBL6241752 0.67
SCHEMBL8763400 0.65
SCHEMBL22219898 0.65
SCHEMBL13001573 0.65 ESR1 (0.56) SLC6A2TAAR1ESR1ESR2MEN1
SCHEMBL14680284 0.64 EPHX1 (0.40) SLC6A4SLC6A2SLC6A3MAOAMAOB

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