SCHEMBL10422508

SCHEMBL10422508

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.52
▸ HRH4 Q9H3N8 1/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 2/20 0.44
▸ PIN1 Q13526 4/20 0.41
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 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
Water SCHEMBL10422512 0.99 REN (0.52) RENHRH4MMP2MMP9MMP8
SCHEMBL10421161 0.96 REN (0.49) RENHRH4MMP2MMP9MMP8
SCHEMBL7336372 0.93 REN (0.52) RENHRH4MMP2MMP9MMP8
SCHEMBL10874442 0.93 REN (0.52) RENHRH4MMP2MMP9MMP8
SCHEMBL7333736 0.92 REN (0.53) RENMMP2MMP9MMP8
SCHEMBL10756718 0.92 REN (0.53) RENMMP2MMP9MMP8
SCHEMBL7283916 0.89 REN (0.48) RENMMP2MMP9MMP8
SCHEMBL7283907 0.89 REN (0.48) RENMMP2MMP9MMP8
SCHEMBL10748105 0.89 REN (0.43) RENHRH4MMP2MMP9MMP8
SCHEMBL10749770 0.88 REN (0.44) RENHRH4MMP2MMP9MMP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904660-A HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 — — US disclosed
US-4711958-A HYPOTENSIVE AGENTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1987-12-08 — — US disclosed
EP-0244083-A2 Amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1987-11-04 — — EP disclosed
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