SCHEMBL10519910

SCHEMBL10519910

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.52
▸ MMP1 P03956 2/20 0.44
▸ MMP3 P08254 2/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ MME P08473 1/20 0.42
▸ CTSK P43235 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ CTSL P07711 2/20 0.40
▸ ERAP2 Q6P179 2/20 0.40
▸ ERAP1 Q9NZ08 2/20 0.40
▸ LNPEP Q9UIQ6 2/20 0.40
▸ REN P00797 3/20 0.40

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 0.97 CAPN1 (0.52) CAPN1MMP1MMP3MMP2MMP7
SCHEMBL10521374 0.92 CAPN1 (0.48) CAPN1MMP1MMP3MMP2MMP7
SCHEMBL10520198 0.91 CAPN1 (0.50) CAPN1MMP1MMP3MMP2CTSB
SCHEMBL10522177 0.90 CAPN1 (0.46) CAPN1MMP1MMP3MMP2MME
SCHEMBL10636543 0.89 CAPN1 (0.51) CAPN1MMP1MMP3MMP2MMP7
SCHEMBL10520279 0.88 CAPN1 (0.47) CAPN1MMP1MMP2MMP9CTSL
SCHEMBL10519671 0.87 CAPN1 (0.46) CAPN1MMP1MMP3MMP2MMP9
SCHEMBL10636541 0.83 CTSL (0.59) CAPN1CTSBCTSL
SCHEMBL10901408 0.83 CAPN1 (0.43) CAPN1MMP1CTSKCTSBCTSL
SCHEMBL10826321 0.83 MMP1 (0.49) MMP1MMP3MMP2MMP7MME

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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