SCHEMBL7902463

SCHEMBL7902463

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)NC(=O)OC(C)(C)C)C2)cc2c(F)ccc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.33
KLK5 Q9Y337 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
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
SCHEMBL7902090 0.92 USP30 (0.32) USP30KLK5AAK1ITGB3ITGA2B
SCHEMBL2790479 0.92 ALDH1A1 (0.31)
SCHEMBL2790483 0.92 ALDH1A1 (0.31)
SCHEMBL7898296 0.92 CNR2 (0.33) USP30KLK5PRMT5WDR77AAK1
SCHEMBL7902535 0.88 USP30 (0.32) USP30KLK5AAK1SCN9A
SCHEMBL7898919 0.88 USP30 (0.32) USP30KLK5AAK1SCN9A
SCHEMBL7897738 0.87 PADI4 (0.37) USP30KLK5AAK1ITGB3ITGA2B
SCHEMBL2814040 0.83 CNR2 (0.34)
SCHEMBL2814043 0.83 CNR2 (0.34)
SCHEMBL762754 0.82 HRH1 (0.38) USP30KLK5

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