SCHEMBL30713460

SCHEMBL30713460

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.51
▸ OPRM1 P35372 4/20 0.51
▸ NPY1R P25929 2/20 0.48
▸ NPY2R P49146 2/20 0.48
▸ NPY4R P50391 2/20 0.48
▸ OPRK1 P41145 2/20 0.48
▸ IL1RN P18510 1/20 0.48
▸ ERAP2 Q6P179 1/20 0.48
▸ FOLH1 Q04609 1/20 0.48
▸ NPY5R Q15761 1/20 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
SCHEMBL30898605 0.86 OPRD1 (0.62) OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL31410837 0.85 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL13170499 0.85 F2 (0.55) OPRD1OPRM1OPRK1
SCHEMBL9545177 0.84 BACE1 (0.51) NPY1RNPY2RNPY4RIL1RNERAP2
SCHEMBL9545184 0.84 BACE1 (0.51) NPY1RNPY2RNPY4RIL1RNERAP2
SCHEMBL30420308 0.84 OPRD1 (0.52) OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL38651047 0.84 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL31257049 0.83 NPY4R (0.59) OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL29608731 0.83 OPRD1 (0.55) OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL29595594 0.83 TASP1 (0.44) OPRD1OPRM1FOLH1

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
CN-117447584-A Hirudin with anticoagulant, antithrombotic and anti-inflammatory activities and application thereof 滨州医学院 2024-01-26 — — CN claimed
CN-117447584-A Hirudin with anticoagulant, antithrombotic and anti-inflammatory activities and application thereof 滨州医学院 2024-01-26 — — CN disclosed
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