SCHEMBL25608899

SCHEMBL25608899

NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.57
▸ OPRM1 P35372 2/20 0.56
▸ OPRD1 P41143 2/20 0.56
▸ LTA4H P09960 1/20 0.55
▸ BRS3 P32247 1/20 0.55
▸ MMP2 P08253 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP8 P22894 1/20 0.54

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
SCHEMBL29564309 1.00 GHSR (0.57) GHSROPRM1OPRD1LTA4HBRS3
SCHEMBL29658156 0.95 OPRD1 (0.57) GHSROPRM1OPRD1LTA4HBRS3
SCHEMBL24933037 0.94 CTSL (0.57) OPRM1OPRD1BRS3
SCHEMBL6655016 0.94 CTSL (0.57) OPRM1OPRD1BRS3
SCHEMBL29565336 0.93 GHSR (0.58) GHSROPRM1OPRD1LTA4HBRS3
SCHEMBL30503004 0.92 LTA4H (0.60) GHSROPRM1OPRD1LTA4H
SCHEMBL30051248 0.90 LTA4H (0.67) GHSRLTA4H
SCHEMBL30052824 0.90 LTA4H (0.67) GHSRLTA4H
SCHEMBL29564909 0.89 OPRM1 (0.63) GHSROPRM1OPRD1
SCHEMBL30169323 0.89 OPRM1 (0.62) GHSROPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183746-A1 COMPOSITIONS FOR TRANSFER OF CARGO TO CELLS Sixfold Bioscience Ltd. (GB) 2023-06-15 — — US disclosed
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