SCHEMBL10522999

SCHEMBL10522999

NNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CC(=O)NCCc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ HRH4 Q9H3N8 1/20 0.43
▸ MMP8 P22894 4/20 0.41
▸ MMP2 P08253 4/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ MMP1 P03956 3/20 0.40
▸ FCER2 P06734 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ REN P00797 2/20 0.39
▸ FNTA P49354 1/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ NMBR P28336 1/20 0.38
▸ BRS3 P32247 1/20 0.38
▸ CASP1 P29466 1/20 0.38

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
SCHEMBL10872017 0.93 HRH4 (0.50) KMT2AHRH4MMP8MMP2MMP9
SCHEMBL10570967 0.90 HRH4 (0.47) KMT2AHRH4MMP8MMP2MMP9
SCHEMBL10570975 0.90 HRH4 (0.47) KMT2AHRH4MMP8MMP2MMP9
SCHEMBL10522366 0.90 HRH4 (0.42) HRH4MMP8MMP2MMP9REN
SCHEMBL10748522 0.89 MMP2 (0.46) HRH4MMP8MMP2MMP9MMP1
SCHEMBL10522100 0.89 HRH4 (0.43) KMT2AHRH4MMP8MMP2MMP9
SCHEMBL8487752 0.88 HRH4 (0.48) HRH4FNTAPGGT1BNMBRBRS3
SCHEMBL8487755 0.88 HRH4 (0.48) HRH4FNTAPGGT1BNMBRBRS3
SCHEMBL10521511 0.87 MMP2 (0.46) MMP8MMP2MMP9REN
SCHEMBL10878220 0.86 MEN1 (0.41) KMT2AHRH4MMP8MMP2MMP9

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 4 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
US-4841067-A RENIN INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-06-20 — — US disclosed
EP-0190891-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-08-13 — — EP disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
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