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SCHEMBL764980

SCHEMBL764980

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-n4c(=O)n(CCOC)c5ccccc54)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.39
▸ HRH1 P35367 9/20 0.39
▸ CYP2D6 P10635 5/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 5/20 0.37
▸ TP53 P04637 3/20 0.37
▸ PADI4 Q9UM07 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL763923 0.96 KCNH2 (0.38) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL763870 0.96 HRH1 (0.38) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL763792 0.94 HRH1 (0.39) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL742255 0.92 HRH1 (0.43) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL10292328 0.90 KCNH2 (0.41) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL765396 0.90 HRH1 (0.37) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL764393 0.90 HRH1 (0.37) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL10292169 0.89 HRH1 (0.39) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL762674 0.89 HRH1 (0.41) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL763178 0.89 HRH1 (0.43) KCNH2HRH1CYP2D6CHRM1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 — — US disclosed