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Sugi Predict / Compounds / SCHEMBL29594894

SCHEMBL29594894

SCHEMBL29594894

CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 4/20 0.49
▸ F2 P00734 2/20 0.48
▸ OPRM1 P35372 3/20 0.47
▸ OPRD1 P41143 3/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ IL23R Q5VWK5 3/20 0.47

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
SCHEMBL30752043 1.00 OPRL1 (0.49) OPRL1F2OPRM1OPRD1OPRK1
SCHEMBL30752033 0.94 F2 (0.49) OPRL1F2OPRM1OPRD1IL23R
SCHEMBL30400934 0.84 IL23R (0.52) OPRL1OPRM1OPRD1OPRK1IL23R
SCHEMBL31433367 0.84 OPRM1 (0.49) OPRL1OPRM1OPRD1OPRK1
SCHEMBL30974537 0.84 OPRL1 (0.58) OPRL1OPRM1OPRD1OPRK1
SCHEMBL30974440 0.83 OPRL1 (0.56) OPRL1F2
SCHEMBL30906508 0.83 OPRL1 (0.56) OPRL1
SCHEMBL30974467 0.83 OPRL1 (0.55) OPRL1F2
SCHEMBL31026565 0.82 OPRL1 (0.52) OPRL1F2
SCHEMBL30712876 0.82 OPRM1 (0.54) OPRL1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114395014-A Characteristic peptide fragment of bullhorn and detection method thereof 南京中医药大学 2022-04-26 — — CN claimed
CN-114395014-B Ox horn characteristic peptide fragment and detection method thereof 南京中医药大学 2024-02-23 — — CN disclosed
CN-114395014-A Characteristic peptide fragment of bullhorn and detection method thereof 南京中医药大学 2022-04-26 — — CN disclosed
CN-114395014-A Characteristic peptide fragment of bullhorn and detection method thereof 南京中医药大学 2022-04-26 — — CN disclosed
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