SCHEMBL10522100

SCHEMBL10522100

O=C(CC(Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)Cc1ccccc1)NCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.43
▸ MMP1 P03956 3/20 0.40
▸ FCER2 P06734 3/20 0.40
▸ MMP8 P22894 3/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP2 P08253 3/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ REN P00797 4/20 0.39
▸ PSMB8 P28062 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ BRS3 P32247 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
SCHEMBL10521511 0.93 MMP2 (0.46) MMP8MMP2MMP9REN
SCHEMBL10872017 0.91 HRH4 (0.50) HRH4MMP1FCER2MMP8MMP3
SCHEMBL10522999 0.89 KMT2A (0.44) HRH4MMP1FCER2MMP8MMP3
SCHEMBL10519796 0.87 MMP9 (0.47) MMP1FCER2MMP8MMP2MMP9
SCHEMBL10570967 0.87 HRH4 (0.47) HRH4MMP1FCER2MMP8MMP3
SCHEMBL10522366 0.87 HRH4 (0.42) HRH4MMP8MMP2MMP9REN
SCHEMBL10570975 0.87 HRH4 (0.47) HRH4MMP1FCER2MMP8MMP3
SCHEMBL8487755 0.85 HRH4 (0.48) HRH4CYP3A4BRS3
SCHEMBL8487752 0.85 HRH4 (0.48) HRH4CYP3A4BRS3
SCHEMBL10521185 0.85 CASP1 (0.47) MMP8MMP2MMP9REN

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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