SCHEMBL10520876

SCHEMBL10520876

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CC(=O)NCCc1c[nH]c2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 12/20 0.50
▸ MMP8 P22894 10/20 0.50
▸ MMP9 P14780 9/20 0.50
▸ CASP1 P29466 2/20 0.50
▸ MMP1 P03956 10/20 0.45
▸ MMP7 P09237 2/20 0.45
▸ ADAM10 O14672 1/20 0.45
▸ ADAM12 O43184 1/20 0.45
▸ ADAMTS4 O75173 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP12 P39900 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ MMP15 P51511 1/20 0.45
▸ MMP16 P51512 1/20 0.45
▸ ADAM17 P78536 1/20 0.45
▸ ADAM9 Q13443 1/20 0.45
▸ MMP26 Q9NRE1 1/20 0.45
▸ MMP17 Q9ULZ9 1/20 0.45
▸ ADAMTS5 Q9UNA0 1/20 0.45

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
SCHEMBL10522487 0.91 MMP2 (0.51) MMP2MMP8MMP9MMP1MMP7
SCHEMBL10521185 0.90 CASP1 (0.47) MMP2MMP8MMP9CASP1
SCHEMBL10520558 0.87 MMP9 (0.47) MMP2MMP8MMP9CASP1MMP1
SCHEMBL10521511 0.81 MMP2 (0.46) MMP2MMP8MMP9
SCHEMBL10520279 0.80 CAPN1 (0.47) MMP2MMP8MMP9MMP1
SCHEMBL10519671 0.79 CAPN1 (0.46) MMP2MMP8MMP9MMP1MMP3
SCHEMBL10522756 0.79 REN (0.43) MMP2MMP8MMP9MMP14
SCHEMBL10521251 0.79 MMP9 (0.44) MMP2MMP8MMP9MMP14
SCHEMBL10897328 0.79 MMP9 (0.44) MMP2MMP8MMP9MMP14
SCHEMBL10571933 0.79 REN (0.49) MMP2MMP8MMP9

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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