Sugi Predict

Sugi Predict / Compounds / SCHEMBL763923

SCHEMBL763923

SCHEMBL763923

CCCn1c(=O)n(-c2ccc(C[C@H](CC(=O)N3CCC[C@@H](c4nc5ccccc5n4CCCOC)C3)NC(=O)OC(C)(C)C)cc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.38
▸ MAPT P10636 6/20 0.38
▸ HRH1 P35367 7/20 0.37
▸ CYP2D6 P10635 5/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 4/20 0.37
▸ THRB P10828 1/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL764980 0.96 KCNH2 (0.39) KCNH2MAPTHRH1CYP2D6TP53
SCHEMBL763870 0.95 HRH1 (0.38) KCNH2MAPTHRH1CYP2D6TP53
SCHEMBL763792 0.93 HRH1 (0.39) KCNH2MAPTHRH1CYP2D6TP53
SCHEMBL10292328 0.89 KCNH2 (0.41) KCNH2MAPTHRH1CYP2D6TP53
SCHEMBL765396 0.89 HRH1 (0.37) KCNH2MAPTHRH1CYP2D6TP53
SCHEMBL764393 0.89 HRH1 (0.37) KCNH2MAPTHRH1CYP2D6TP53
SCHEMBL10292169 0.88 HRH1 (0.39) KCNH2MAPTHRH1CYP2D6TP53
SCHEMBL742255 0.88 HRH1 (0.43) KCNH2MAPTHRH1CYP2D6TP53
SCHEMBL763880 0.88 HRH1 (0.43) KCNH2MAPTHRH1CYP2D6TP53
SCHEMBL763858 0.88 KCNH2 (0.42) 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