SCHEMBL10522177

SCHEMBL10522177

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CCCCc1ccc2ccccc2c1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.46
▸ CTSB P07858 4/20 0.46
▸ MMP9 P14780 6/20 0.42
▸ MMP2 P08253 5/20 0.42
▸ MMP8 P22894 5/20 0.42
▸ PSMB1 P20618 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ PSMB2 P49721 1/20 0.41
▸ FCER2 P06734 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MME P08473 1/20 0.37

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
SCHEMBL10519808 0.92 CAPN1 (0.52) CAPN1CTSBMMP9MMP2MMP1
SCHEMBL10519910 0.90 CAPN1 (0.52) CAPN1CTSBMMP9MMP2MMP1
SCHEMBL10520279 0.86 CAPN1 (0.47) CAPN1MMP9MMP2MMP8PSMB5
SCHEMBL10521374 0.85 CAPN1 (0.48) CAPN1CTSBMMP9MMP2MMP8
SCHEMBL10519671 0.85 CAPN1 (0.46) CAPN1MMP9MMP2MMP8PSMB5
SCHEMBL10984447 0.83 CTSL (0.53) CAPN1CTSBPSMB1PSMB5PSMB2
SCHEMBL10520198 0.83 CAPN1 (0.50) CAPN1CTSBMMP2MMP1MMP3
SCHEMBL10636543 0.83 CAPN1 (0.51) CAPN1CTSBMMP9MMP2MMP8
SCHEMBL10519730 0.79 MMP2 (0.41) CAPN1CTSBMMP9MMP2MMP8
SCHEMBL10636541 0.78 CTSL (0.59) CAPN1CTSBPSMB1PSMB5PSMB2

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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