SCHEMBL5603679

SCHEMBL5603679

CCCCCC1=C(C)c2ccccc2[N]1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.38
KCNH2 Q12809 1/20 0.38
PTPN1 P18031 1/20 0.37
HSD11B1 P28845 3/20 0.37
GPR3 P46089 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CNR1 P21554 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
SCHEMBL5603031 0.98 KCNH2 (0.41) GCGRKCNH2PTPN1HSD11B1GPR3
SCHEMBL5602347 0.98 KCNH2 (0.41) GCGRKCNH2PTPN1HSD11B1GPR3
SCHEMBL5601435 0.98 KCNH2 (0.41) GCGRKCNH2PTPN1HSD11B1GPR3
SCHEMBL5601934 0.98 KCNH2 (0.41) GCGRKCNH2PTPN1HSD11B1GPR3
SCHEMBL5600379 0.98 KCNH2 (0.41) GCGRKCNH2PTPN1HSD11B1GPR3
SCHEMBL5602833 0.98 KCNH2 (0.41) GCGRKCNH2PTPN1HSD11B1GPR3
SCHEMBL5601431 0.98 KCNH2 (0.41) GCGRKCNH2PTPN1HSD11B1GPR3
SCHEMBL5601003 0.95 HSD11B1 (0.35) GCGRKCNH2PTPN1HSD11B1TDP1
SCHEMBL5602545 0.83 KCNH2 (0.38) KCNH2PTPN1HSD11B1GPR3NR1H2
SCHEMBL5599885 0.81 KCNH2 (0.41) KCNH2PTPN1HSD11B1GPR3NR1H2

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