SCHEMBL27345837

SCHEMBL27345837

NC(=O)CNC(=O)C(N)CSCC(=O)NC(Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.46
▸ OPRM1 P35372 4/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ PTPN2 P17706 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ ACE P12821 1/20 0.42
▸ FCER2 P06734 1/20 0.41

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
SCHEMBL27345839 0.90 FCER2 (0.52) OPRD1OPRM1OPRK1PTPN1FCER2
SCHEMBL27345841 0.83 OPRD1 (0.49) OPRD1OPRM1OPRK1PTPN2PTPN1
SCHEMBL19819646 0.83 OPRD1 (0.42) OPRD1OPRM1OPRK1
SCHEMBL31744318 0.80 OPRD1 (0.53) OPRD1OPRM1OPRK1PTPN2PTPN1
SCHEMBL9438025 0.78 SLC7A5 (0.57) OPRD1OPRM1OPRK1
SCHEMBL9157903 0.78 SLC7A5 (0.57) OPRD1OPRM1OPRK1
SCHEMBL19538737 0.76 OPRD1 (0.69) OPRD1OPRM1OPRK1
SCHEMBL5177691 0.76 CHRND (0.53) —
SCHEMBL27345849 0.76 OPRD1 (0.51) OPRD1OPRM1OPRK1
Benzene SCHEMBL11575906 0.75 SLC7A5 (0.58) OPRD1OPRM1OPRK1

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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