SCHEMBL5601676

SCHEMBL5601676

CCCCCCCCC1CCCC2=C1[N]c1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.32
BCHE P06276 1/20 0.31
KCNH2 Q12809 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5602585 1.00 SIGMAR1 (0.32) SIGMAR1BCHEKCNH2GAAMAPT
SCHEMBL5602306 1.00 SIGMAR1 (0.32) SIGMAR1BCHEKCNH2GAAMAPT
SCHEMBL5603472 1.00 SIGMAR1 (0.32) SIGMAR1BCHEKCNH2GAAMAPT
SCHEMBL5601811 1.00 SIGMAR1 (0.32) SIGMAR1BCHEKCNH2GAAMAPT
SCHEMBL5602622 1.00 SIGMAR1 (0.32) SIGMAR1BCHEKCNH2GAAMAPT
SCHEMBL5603394 1.00 SIGMAR1 (0.32) SIGMAR1BCHEKCNH2GAAMAPT
SCHEMBL5602312 0.99 BCHE (0.32) SIGMAR1BCHE
SCHEMBL5602594 0.95 NOS1 (0.33) SIGMAR1BCHE
SCHEMBL5601404 0.89 NOS3 (0.33)
SCHEMBL5601110 0.84 ACHE (0.30)

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