SCHEMBL31500765

SCHEMBL31500765

CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.51
▸ SLC6A2 P23975 2/20 0.46
▸ XIAP P98170 1/20 0.46
▸ CAPN1 P07384 5/20 0.45
▸ RAMP1 O60894 1/20 0.44
▸ CTSB P07858 1/20 0.43
▸ KEAP1 Q14145 1/20 0.39

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
SCHEMBL31500758 0.90 NTSR2 (0.47) CALCRLCAPN1
SCHEMBL31500764 0.89 CALCRL (0.48) CALCRLSLC6A2RAMP1
SCHEMBL30687535 0.87 CAPN1 (0.47) CALCRLSLC6A2XIAPCAPN1CTSB
SCHEMBL30525445 0.87 CAPN1 (0.53) CALCRLSLC6A2XIAPCAPN1RAMP1
SCHEMBL30444071 0.85 BACE1 (0.45) CALCRLRAMP1
SCHEMBL29521253 0.84 CALCRL (0.49) CALCRLXIAPCAPN1RAMP1CTSB
SCHEMBL31183007 0.84 CAPN1 (0.51) CALCRLSLC6A2CAPN1CTSBKEAP1
SCHEMBL21312750 0.84 XIAP (0.55) CALCRLSLC6A2XIAP
SCHEMBL29498736 0.84 XIAP (0.53) SLC6A2XIAPCAPN1CTSB
SCHEMBL29630482 0.83 OPRM1 (0.46) SLC6A2XIAPCAPN1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591674-A Cyclohexapeptide and preparation method and application thereof 陕西未来多肽生物科技有限公司 2025-03-11 — — CN disclosed
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