SCHEMBL27345846

SCHEMBL27345846

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.47
▸ OPRM1 P35372 5/20 0.47
▸ OPRK1 P41145 2/20 0.47
▸ PTPN1 P18031 1/20 0.45
▸ MMP1 P03956 1/20 0.44
▸ FCER2 P06734 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ HPGDS O60760 1/20 0.43

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
SCHEMBL27345841 0.90 OPRD1 (0.49) OPRD1OPRM1OPRK1PTPN1
SCHEMBL9419209 0.85 OPRD1 (0.61) OPRD1OPRM1OPRK1MMP1FCER2
SCHEMBL9419204 0.85 OPRD1 (0.61) OPRD1OPRM1OPRK1MMP1FCER2
SCHEMBL27345849 0.84 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL27345839 0.83 FCER2 (0.52) OPRD1OPRM1OPRK1PTPN1MMP1
SCHEMBL3634638 0.80 OPRD1 (0.51) OPRD1OPRM1OPRK1MMP1FCER2
SCHEMBL16844820 0.80 MMP2 (0.56) OPRD1OPRM1OPRK1FCER2MMP2
SCHEMBL19538737 0.78 OPRD1 (0.69) OPRD1OPRM1OPRK1
SCHEMBL8789703 0.78 ALPI (0.58) MMP2
SCHEMBL14963151 0.78 ALPI (0.58) MMP2

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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