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SCHEMBL7902535

SCHEMBL7902535

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)NC(=O)OC(C)(C)C)C2)c(C)c2cccc(F)c21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.32
▸ KLK5 Q9Y337 1/20 0.32
▸ REN P00797 6/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ AAK1 Q2M2I8 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KMT2A Q03164 1/20 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
SCHEMBL2789916 0.93 REN (0.32) RENCYP3A4ALDH1A1TSHRKMT2A
SCHEMBL7898919 0.92 USP30 (0.32) USP30KLK5AAK1SCN9A
SCHEMBL7890024 0.89 KLK5 (0.36) KLK5RENCYP3A4ALDH1A1TSHR
SCHEMBL2813840 0.89 KLK5 (0.36) KLK5RENCYP3A4ALDH1A1TSHR
SCHEMBL7905913 0.89 CACNA1B (0.35) KLK5RENCYP3A4ALDH1A1TSHR
SCHEMBL2813838 0.89 KLK5 (0.36) KLK5RENCYP3A4ALDH1A1TSHR
SCHEMBL7902463 0.88 USP30 (0.33) USP30KLK5AAK1SCN9A
SCHEMBL7902090 0.88 USP30 (0.32) USP30KLK5RENCYP3A4AAK1
SCHEMBL7898296 0.87 CNR2 (0.33) USP30KLK5RENCYP3A4AAK1
SCHEMBL7897503 0.85 SCN9A (0.32) KLK5RENCYP3A4ALDH1A1TSHR

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