SCHEMBL7898919

SCHEMBL7898919

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)c2c(F)ccc(F)c21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.32
KLK5 Q9Y337 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL7902535 0.92 USP30 (0.32) USP30KLK5AAK1SCN9A
SCHEMBL7902463 0.88 USP30 (0.33) USP30KLK5AAK1SCN9A
SCHEMBL7902090 0.85 USP30 (0.32) USP30KLK5AAK1SCN9A
SCHEMBL2789916 0.84 REN (0.32)
SCHEMBL7892449 0.84 CACNA1B (0.33) KLK5SCN9A
SCHEMBL7898296 0.83 CNR2 (0.33) USP30KLK5AAK1SCN9A
SCHEMBL7897738 0.81 PADI4 (0.37) USP30KLK5AAK1SCN9A
SCHEMBL762754 0.81 HRH1 (0.38) USP30KLK5
SCHEMBL2790479 0.81 ALDH1A1 (0.31)
SCHEMBL2790483 0.81 ALDH1A1 (0.31)

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