SCHEMBL31049844

SCHEMBL31049844

CCCCCC(=O)N[C@H](CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ IL23R Q5VWK5 1/20 0.45
▸ OPRD1 P41143 5/20 0.44
▸ CCKBR P32239 2/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ CXCR4 P61073 1/20 0.43
▸ NMUR2 Q9GZQ4 5/20 0.43
▸ NMUR1 Q9HB89 5/20 0.43
▸ CAPN1 P07384 2/20 0.43
▸ CTSB P07858 2/20 0.43
▸ APLNR P35414 1/20 0.42
▸ CXCL8 P10145 2/20 0.42

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
SCHEMBL31049845 0.93 MAPK8 (0.45) MAPK8MAPK9MAPK10IL23ROPRD1
SCHEMBL31490515 0.90 MAPK8 (0.54) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL31049847 0.87 MAPK8 (0.41) MAPK8MAPK9MAPK10IL23ROPRD1
SCHEMBL31049830 0.87 NMUR2 (0.39) MAPK8MAPK9MAPK10IL23ROPRD1
SCHEMBL29506913 0.84 MAPK8 (0.50) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL31049843 0.84 MAPK8 (0.43) MAPK8MAPK9MAPK10IL23RCXCR4
SCHEMBL31490504 0.82 MAPK8 (0.52) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL29506914 0.82 MAPK8 (0.51) MAPK8MAPK9MAPK10IL23RNMUR2
SCHEMBL29506907 0.82 SLC6A2 (0.53) MAPK8MAPK9MAPK10OPRD1OPRM1
SCHEMBL29506912 0.81 MAPK8 (0.52) MAPK8MAPK9MAPK10IL23RNMUR2

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-4653451-A1 POLYPEPTIDE COMPOUND AND USE THEREOF Chengdu New Radiomedicine Technology Co., Ltd. (CN) 2025-11-26 — — EP disclosed
WO-2024165072-A1 POLYPEPTIDE COMPOUND AND USE THEREOF 成都纽瑞特医疗科技股份有限公司 2024-08-15 — — WO disclosed
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