SCHEMBL31049828

SCHEMBL31049828

CCCCCCN[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](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ CAPN1 P07384 6/20 0.40
▸ GRB2 P62993 1/20 0.39
▸ NMUR2 Q9GZQ4 4/20 0.39
▸ NMUR1 Q9HB89 4/20 0.39
▸ OPRK1 P41145 5/20 0.39
▸ CTSB P07858 1/20 0.38

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
SCHEMBL29506914 0.88 MAPK8 (0.51) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31049832 0.88 OPRK1 (0.39) F2MAPK8MAPK9MAPK10CAPN1
SCHEMBL29506913 0.87 MAPK8 (0.50) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL29506912 0.84 MAPK8 (0.52) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31049845 0.84 MAPK8 (0.45) MAPK8MAPK9MAPK10CAPN1NMUR2
SCHEMBL29601373 0.84 MAPK8 (0.52) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31049843 0.83 MAPK8 (0.43) MAPK8MAPK9MAPK10CAPN1NMUR2
SCHEMBL31049835 0.83 MAPK8 (0.48) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31049846 0.82 GRB2 (0.39) MAPK8MAPK9MAPK10CAPN1GRB2
SCHEMBL29634954 0.82 CALCRL (0.51) MAPK8MAPK9MAPK10NMUR2NMUR1

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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