SCHEMBL31458711

SCHEMBL31458711

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)CCl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 3/20 0.55
▸ OPRD1 P41143 6/20 0.48
▸ OPRM1 P35372 4/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ CHRND Q07001 5/20 0.46
▸ CHRNA1 P02708 1/20 0.46
▸ CHRNG P07510 1/20 0.46
▸ CHRNB1 P11230 1/20 0.46
▸ ITGB1 P05556 1/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ CTSL P07711 1/20 0.44

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
SCHEMBL16330513 0.86 GRIA1 (0.55) GRIA1OPRD1OPRM1OPRK1CTSS
SCHEMBL9724062 0.81 GRIA1 (0.59) GRIA1OPRD1OPRM1OPRK1CTSS
SCHEMBL16330572 0.81 OPRD1 (0.59) GRIA1OPRD1OPRM1OPRK1CTSS
SCHEMBL30493746 0.80 GRIA1 (0.61) GRIA1OPRD1OPRM1OPRK1CTSS
SCHEMBL29434521 0.80 OPRD1 (0.60) GRIA1OPRD1OPRM1OPRK1CTSS
SCHEMBL13819248 0.78 GRIA1 (0.66) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL4151677 0.78 GRIA1 (0.66) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL5009890 0.78 GRIA1 (0.62) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL5007773 0.78 GRIA1 (0.62) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL21880937 0.78 GRIA1 (0.59) GRIA1OPRD1OPRM1OPRK1CTSS

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
CN-119380865-A Method, device, equipment and medium for generating double-ring peptide and training model 北京百度网讯科技有限公司 2025-01-28 — — CN disclosed
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