SCHEMBL10522366

SCHEMBL10522366

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ BIRC2 Q13490 2/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ ERAP2 Q6P179 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ REN P00797 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ PSMB8 P28062 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ NMBR P28336 1/20 0.40
▸ OPRK1 P41145 1/20 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
SCHEMBL10872017 0.93 HRH4 (0.50) HRH4PTPN1MMP2MMP9MMP8
SCHEMBL10522999 0.90 KMT2A (0.44) HRH4RENMMP2MMP9MMP8
SCHEMBL10570967 0.89 HRH4 (0.47) HRH4RENMMP2MMP9MMP8
SCHEMBL10570975 0.89 HRH4 (0.47) HRH4RENMMP2MMP9MMP8
SCHEMBL10825063 0.89 REN (0.48) REN
SCHEMBL10522100 0.87 HRH4 (0.43) HRH4RENMMP2MMP9MMP8
SCHEMBL10521511 0.86 MMP2 (0.46) RENMMP2MMP9MMP8
SCHEMBL8486193 0.86 HRH4 (0.45) HRH4ANPEPERAP2ERAP1REN
SCHEMBL8486197 0.86 HRH4 (0.45) HRH4ANPEPERAP2ERAP1REN
SCHEMBL10520319 0.86 HRH4 (0.44) HRH4BIRC2ANPEPERAP2ERAP1

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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