SCHEMBL20873441

SCHEMBL20873441

CCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.56
MME P08473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48
PSMB5 P28074 1/20 0.47
ANPEP P15144 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
SCHEMBL20873442 1.00 CAPN1 (0.56) CAPN1MMEL3MBTL1POLBPSMB5
SCHEMBL20474454 0.91 CAPN1 (0.58) CAPN1MME
SCHEMBL20474455 0.91 CAPN1 (0.58) CAPN1MME
SCHEMBL3840255 0.91 CAPN1 (0.58) CAPN1MME
SCHEMBL4395935 0.86 CAPN1 (0.72) CAPN1POLB
SCHEMBL21458034 0.86 CAPN1 (0.72) CAPN1POLB
SCHEMBL20815800 0.83 CAPN1 (0.53) CAPN1MME
SCHEMBL20815801 0.83 CAPN1 (0.53) CAPN1MME
SCHEMBL21458073 0.82 ANPEP (0.50) MMEANPEP
SCHEMBL3837984 0.82 ANPEP (0.50) MMEANPEP

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-3466421-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER Osaka City University (JP) 2019-04-10 EP disclosed