SCHEMBL10522976

SCHEMBL10522976

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(=Cc1ccccc1)CC(=O)NCc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.40
▸ PSMB5 P28074 3/20 0.38
▸ CASP1 P29466 1/20 0.37
▸ MMP9 P14780 4/20 0.37
▸ MMP8 P22894 3/20 0.37
▸ MMP14 P50281 2/20 0.37
▸ MMP2 P08253 3/20 0.37
▸ PSMB8 P28062 2/20 0.36
▸ REN P00797 5/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ CAPN1 P07384 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP3 P08254 1/20 0.34

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
SCHEMBL10521853 0.85 SMN1; SMN2 (0.36) ANPEPPSMB5MMP2PSMB8MMP3
SCHEMBL10522966 0.84 REN (0.35) PSMB5MMP9MMP8MMP14MMP2
SCHEMBL10522964 0.84 REN (0.35) PSMB5MMP9MMP8MMP14MMP2
SCHEMBL10897999 0.83 PSMB5 (0.45) ANPEPPSMB5MMP9MMP8MMP2
SCHEMBL10523789 0.82 HRH4 (0.36) ANPEPPSMB5MMP9MMP8MMP14
SCHEMBL10520558 0.82 MMP9 (0.47) CASP1MMP9MMP8MMP2REN
SCHEMBL10521381 0.80 PSMB5 (0.42) PSMB5CASP1MMP9MMP8MMP2
SCHEMBL10521251 0.80 MMP9 (0.44) ANPEPPSMB5MMP9MMP8MMP14
SCHEMBL10897328 0.80 MMP9 (0.44) ANPEPPSMB5MMP9MMP8MMP14
SCHEMBL10520125 0.78 MMP9 (0.42) ANPEPPSMB5MMP9MMP8MMP14

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
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