SCHEMBL5602833

SCHEMBL5602833

CCCCCCC1=C(C)c2ccccc2[N]1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
PTPN1 P18031 1/20 0.40
GPR3 P46089 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
GCGR P47871 3/20 0.37
CNR1 P21554 1/20 0.37
HSD11B1 P28845 2/20 0.36
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL5601431 1.00 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5603031 1.00 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5602347 1.00 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5601934 1.00 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5600379 1.00 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5601435 1.00 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5603679 0.98 GCGR (0.38) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5601003 0.93 HSD11B1 (0.35) KCNH2PTPN1GCGRHSD11B1TLR8
SCHEMBL5599885 0.83 KCNH2 (0.41) KCNH2PTPN1GPR3NR1H2NR1H3
SCHEMBL5602545 0.81 KCNH2 (0.38) KCNH2PTPN1GPR3NR1H2NR1H3

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