SCHEMBL7900974

SCHEMBL7900974

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(NC(=O)c4c[nH]cn4)cc3)NC(=O)OC(C)(C)C)C2)c(C)c2cccc(F)c21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.32
KLK5 Q9Y337 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PTPN1 P18031 2/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL7897783 0.92 PABPC1 (0.33) PABPC1KLK5PTPN1
SCHEMBL7899253 0.91 PABPC1 (0.32) PABPC1KLK5PTPN1
SCHEMBL2791534 0.91 MMP13 (0.34) PABPC1KLK5
SCHEMBL7901258 0.91 PABPC1 (0.33) PABPC1KLK5
SCHEMBL2787942 0.89 DPP4 (0.33)
SCHEMBL2787940 0.89 DPP4 (0.33)
SCHEMBL7900833 0.88 PABPC1 (0.34) PABPC1KLK5PTPN1
SCHEMBL7898847 0.88 MMP13 (0.35) PABPC1KLK5MAPT
SCHEMBL2790403 0.88 PABPC1 (0.32) PABPC1KLK5
SCHEMBL2790406 0.88 PABPC1 (0.32) PABPC1KLK5

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed