SCHEMBL10749770

SCHEMBL10749770

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12.[N-]=[N+]=N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.44
▸ HRH4 Q9H3N8 1/20 0.42
▸ MME P08473 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ MMP2 P08253 4/20 0.36
▸ MMP9 P14780 4/20 0.36
▸ MMP8 P22894 4/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ ECE1 P42892 1/20 0.35

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
SCHEMBL10748105 0.99 REN (0.43) RENHRH4MMEACECPA1
SCHEMBL10421161 0.92 REN (0.49) RENHRH4PIN1MMP2MMP9
SCHEMBL10753464 0.89 REN (0.48) RENHRH4MMP2MMP9MMP8
SCHEMBL10751142 0.88 REN (0.47) RENHRH4MMP2MMP9MMP8
SCHEMBL10422508 0.88 REN (0.52) RENHRH4MMEACECPA1
Water SCHEMBL10422512 0.87 REN (0.52) RENHRH4MMEACECPA1
SCHEMBL10750427 0.84 HRH4 (0.45) RENHRH4MMEACECPA1
SCHEMBL10751443 0.84 HRH4 (0.45) RENHRH4MMEACECPA1
SCHEMBL8481892 0.83 HRH4 (0.56) HRH4MMEACECPA1ACE2
SCHEMBL8481399 0.83 HRH4 (0.56) HRH4MMEACECPA1ACE2

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-4656269-A RENIN INHIBITORY EFFECT WHEN ADMINISTERING ORALLY; HYPOTENSIVE AGENTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1987-04-07 — — US disclosed
EP-0200406-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-11-05 — — EP disclosed
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