SCHEMBL27345839

SCHEMBL27345839

NC(=O)CNC(=O)C(N)CSCC(=O)NC(Cc1ccccc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FCER2 P06734 7/20 0.52
▸ OPRD1 P41143 5/20 0.44
▸ OPRM1 P35372 4/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ MMP1 P03956 2/20 0.43
▸ HPGDS O60760 1/20 0.42

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
SCHEMBL27345837 0.90 OPRD1 (0.46) FCER2OPRD1OPRM1PTPN1OPRK1
SCHEMBL27345846 0.83 OPRD1 (0.47) FCER2OPRD1OPRM1PTPN1OPRK1
SCHEMBL9419209 0.82 OPRD1 (0.61) FCER2OPRD1OPRM1OPRK1MMP1
SCHEMBL9419204 0.82 OPRD1 (0.61) FCER2OPRD1OPRM1OPRK1MMP1
SCHEMBL24915378 0.78 MME (0.40) FCER2OPRK1
SCHEMBL8788898 0.77 ALPI (0.58) —
SCHEMBL14963151 0.77 ALPI (0.58) —
SCHEMBL8789703 0.77 ALPI (0.58) —
SCHEMBL16844820 0.77 MMP2 (0.56) FCER2OPRD1OPRM1OPRK1
SCHEMBL3634638 0.77 OPRD1 (0.51) FCER2OPRD1OPRM1OPRK1MMP1

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
WO-2024013390-A1 ANTIVIRAL CYCLIC COMPOUNDS UNIVERSITEIT UTRECHT HOLDING B.V. (NL) 2024-01-18 — — WO disclosed
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