SCHEMBL10624291

SCHEMBL10624291

C[C@H](NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 1/20 0.42
▸ F2 P00734 3/20 0.39
▸ OPRD1 P41143 2/20 0.38
▸ CHRM2 P08172 3/20 0.37
▸ CHRM4 P08173 3/20 0.37
▸ CHRM3 P20309 3/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ BDKRB2 P30411 2/20 0.37
▸ ACE P12821 1/20 0.37
▸ CHRM5 P08912 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
SCHEMBL10624289 0.88 F2 (0.38) F2OPRD1ACE
SCHEMBL20782464 0.85 F2 (0.37) VHLF2OPRD1ACE
SCHEMBL29795307 0.84 VHL (0.40) VHLCHRM2CHRM4CHRM3CHRM1
Rotigaptide SCHEMBL20547994 0.79 VHL (0.49) VHLOPRD1BDKRB2
Rotigaptide SCHEMBL20547993 0.79 VHL (0.49) VHLOPRD1BDKRB2
SCHEMBL16925996 0.79 VHL (0.47) VHLOPRD1BDKRB2
Rotigaptide SCHEMBL29359046 0.79 VHL (0.49) VHLOPRD1BDKRB2
SCHEMBL19381802 0.79 VHL (0.47) VHLOPRD1BDKRB2
SCHEMBL31327461 0.77 VHL (0.54) VHLF2OPRD1BDKRB2ACE
SCHEMBL19381804 0.74 VHL (0.51) VHLOPRD1

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
JP-62059296-A — — None — — JP disclosed
US-4775743-A ANTIAGGLOMERANTS GREEN CROSS CORPORATION (JP) 1988-10-04 — — US disclosed
EP-0214659-A2 Peptide derivatives, process for the production thereof and pharmaceutical compositions containing same GREEN CROSS CORPORATION (JP) 1987-03-18 — — EP disclosed
JP-S6259296-A PEPTIDE DERIVATIVE GREEN CROSS CORP:THE 1987-03-14 — — JP disclosed
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