SCHEMBL5603168

SCHEMBL5603168

CC1(C2=c3ccccc3=C[N]2)CCCCCCCC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRNA7 P36544 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL5602795 1.00 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3CHRNA7MAPK13
SCHEMBL5603543 1.00 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3CHRNA7MAPK13
SCHEMBL5603232 1.00 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3CHRNA7MAPK13
SCHEMBL5601634 1.00 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3CHRNA7MAPK13
SCHEMBL5599965 1.00 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3CHRNA7MAPK13
SCHEMBL5600504 1.00 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3CHRNA7MAPK13
SCHEMBL5602895 0.98
SCHEMBL5601114 0.95
SCHEMBL5601885 0.91
SCHEMBL5603539 0.66 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed