SCHEMBL29794253

SCHEMBL29794253

NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.61
▸ OPRM1 P35372 8/20 0.61
▸ OPRK1 P41145 1/20 0.61
▸ CHRNA1 P02708 3/20 0.57
▸ CHRNG P07510 3/20 0.57
▸ CHRNB1 P11230 3/20 0.57
▸ CHRND Q07001 3/20 0.57
▸ GRIA1 P42261 2/20 0.54
▸ MME P08473 1/20 0.54
▸ ACE P12821 1/20 0.51

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
SCHEMBL30637588 1.00 OPRD1 (0.61) OPRD1OPRM1OPRK1CHRNA1CHRNG
SCHEMBL30637600 1.00 OPRD1 (0.61) OPRD1OPRM1OPRK1CHRNA1CHRNG
SCHEMBL9332730 0.92 ACE (0.54) OPRD1OPRM1OPRK1CHRNA1CHRNG
SCHEMBL9332741 0.92 ACE (0.54) OPRD1OPRM1OPRK1CHRNA1CHRNG
SCHEMBL30439820 0.90 OPRD1 (0.52) OPRD1OPRM1OPRK1MME
SCHEMBL30439797 0.90 OPRD1 (0.52) OPRD1OPRM1OPRK1MME
SCHEMBL29789562 0.90 OPRD1 (0.53) OPRD1OPRM1OPRK1CHRNA1CHRNG
SCHEMBL29993603 0.90 ACE (0.53) OPRD1OPRM1OPRK1CHRNA1CHRNG
SCHEMBL29591857 0.90 OPRD1 (0.52) OPRD1OPRM1OPRK1CHRNA1CHRNG
SCHEMBL29630576 0.89 OPRD1 (0.55) OPRD1OPRM1OPRK1CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041278-A1 ACTIVE POLYPEPTIDE COMPOUND Shaanxi Micot Technology Limited Company (CN) 2022-08-17 — — EP claimed
CN-114786704-A Active polypeptide compounds 陕西麦科奥特科技有限公司 2022-07-22 — — CN claimed
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