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Sugi Predict / Compounds / SCHEMBL10522787

SCHEMBL10522787

SCHEMBL10522787

Cn1cnc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c[nH]cn2)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.53
▸ OPRD1 P41143 2/20 0.53
▸ OPRK1 P41145 2/20 0.53
▸ SLC6A2 P23975 1/20 0.52
▸ REN P00797 3/20 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
SCHEMBL29649768 0.90 OPRM1 (0.54) OPRM1OPRD1OPRK1SLC6A2REN
SCHEMBL6516908 0.89 REN (0.58) OPRM1OPRD1OPRK1SLC6A2REN
SCHEMBL29525618 0.89 REN (0.58) OPRM1OPRD1OPRK1SLC6A2REN
SCHEMBL30480493 0.88 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC6A2REN
SCHEMBL30480492 0.88 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC6A2REN
SCHEMBL30456393 0.88 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL38652354 0.87 SLC6A2 (0.55) OPRM1OPRD1OPRK1SLC6A2REN
SCHEMBL29390515 0.87 OPRM1 (0.52) OPRM1OPRD1OPRK1SLC6A2REN
SCHEMBL31127558 0.86 F2 (0.60) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30785948 0.85 SLC6A2 (0.58) OPRM1OPRD1OPRK1SLC6A2REN

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
US-4721776-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-01-26 — — US claimed
US-4829053-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-09 — — US disclosed