SCHEMBL10522083

SCHEMBL10522083

NNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CCCCc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.45
▸ MMP9 P14780 6/20 0.40
▸ MMP1 P03956 2/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ MMP2 P08253 6/20 0.39
▸ MMP8 P22894 5/20 0.39
▸ MMP14 P50281 4/20 0.39
▸ ANPEP P15144 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ MMP7 P09237 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ REN P00797 1/20 0.37
▸ MMP11 P24347 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
SCHEMBL10520319 0.89 HRH4 (0.44) HRH4MMP9MMP1MMP3MMP2
SCHEMBL10521239 0.88 HRH4 (0.48) HRH4MMP9MMP1MMP3MMP2
SCHEMBL10522999 0.86 KMT2A (0.44) HRH4MMP9MMP1MMP3MMP2
SCHEMBL10521500 0.86 REN (0.44) HRH4MMP9MMP2MMP8ANPEP
SCHEMBL10520279 0.85 CAPN1 (0.47) HRH4MMP9MMP1MMP2MMP8
SCHEMBL10519671 0.85 CAPN1 (0.46) HRH4MMP9MMP1MMP3MMP2
SCHEMBL10522370 0.83 REN (0.44) HRH4MMP9MMP1MMP2MMP8
SCHEMBL8487752 0.83 HRH4 (0.48) HRH4CTSSCTSK
SCHEMBL8487755 0.83 HRH4 (0.48) HRH4CTSSCTSK
SCHEMBL10639324 0.82 REN (0.52) HRH4CTSSCTSKREN

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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