SCHEMBL10522964

SCHEMBL10522964

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)/C(=C\c1ccccc1)CC(=O)N(C)c1cccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.35
▸ CAPN1 P07384 7/20 0.34
▸ CTSB P07858 4/20 0.33
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ OPRK1 P41145 1/20 0.31
▸ PSMB5 P28074 3/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ PSMB1 P20618 1/20 0.30
▸ PSMB2 P49721 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
SCHEMBL10522966 1.00 REN (0.35) RENCAPN1CTSBMMP9MMP8
SCHEMBL10519245 0.88 MMP9 (0.32) MMP9MMP8MMP14MMP2
SCHEMBL10519252 0.88 MMP9 (0.32) MMP9MMP8MMP14MMP2
SCHEMBL10521837 0.86 ALDH1A1 (0.33) MMP9MMP2
SCHEMBL10521842 0.86 ALDH1A1 (0.33) MMP9MMP2
SCHEMBL10522976 0.84 ANPEP (0.40) RENCAPN1MMP9MMP8MMP14
SCHEMBL10519172 0.84 REN (0.40) RENCAPN1MMP9MMP8
SCHEMBL10520337 0.82 CTSB (0.39) RENCAPN1CTSBMMP8PSMB5
SCHEMBL10897328 0.75 MMP9 (0.44) RENCAPN1CTSBMMP9MMP8
SCHEMBL10521251 0.75 MMP9 (0.44) RENCAPN1CTSBMMP9MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 — — US disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
Send feedback