SCHEMBL29609081

SCHEMBL29609081

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.46
▸ CAPN1 P07384 4/20 0.43
▸ REN P00797 1/20 0.43
▸ XIAP P98170 1/20 0.42
▸ OPRK1 P41145 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ NTSR2 O95665 4/20 0.40
▸ NTSR1 P30989 4/20 0.40
▸ SORT1 Q99523 4/20 0.40
▸ CTSD P07339 1/20 0.40
▸ CTSE P14091 1/20 0.40
▸ CTSB P07858 1/20 0.40

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
SCHEMBL31232524 0.91 CAPN1 (0.46) CALCRLCAPN1RENXIAPNTSR2
SCHEMBL30239989 0.87 XIAP (0.49) CAPN1RENXIAPDPP4DPP8
SCHEMBL31040327 0.87 CALCRL (0.50) CALCRLCAPN1RENXIAPNTSR2
SCHEMBL31568001 0.86 CAPN1 (0.51) CALCRLCAPN1RENXIAPOPRK1
SCHEMBL30399601 0.85 ACE (0.45) RENDPP4DPP8DPP9DPP7
SCHEMBL30069147 0.85 DPP4 (0.50) RENXIAPDPP4DPP8DPP9
SCHEMBL31518648 0.84 DPP4 (0.52) RENXIAPDPP4DPP8DPP9
SCHEMBL30399992 0.84 OPRK1 (0.49) CALCRLOPRK1NTSR2NTSR1SORT1
SCHEMBL30596290 0.84 CALCRL (0.51) CALCRLCAPN1RENOPRK1CTSD
SCHEMBL30553111 0.83 CAPN1 (0.47) CAPN1RENXIAPCTSB

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
EP-3993784-A1 COMBINATION THERAPY METHODS, COMPOSITIONS AND KITS Accure Therapeutics, S.L. (ES) 2022-05-11 — — EP disclosed
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