SCHEMBL8293258

SCHEMBL8293258

C=C(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCC)OCCOC

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 8/20 0.63
PSMB5 P28074 1/20 0.46
MME P08473 1/20 0.44
BIRC2 Q13490 1/20 0.43

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
SCHEMBL15304656 0.92 CAPN1 (0.53) CAPN1
SCHEMBL4402033 0.91 CAPN1 (0.75) CAPN1
SCHEMBL21458032 0.91 CAPN1 (0.75) CAPN1
SCHEMBL20834985 0.91 CAPN1 (0.75) CAPN1
SCHEMBL21458034 0.84 CAPN1 (0.72) CAPN1
SCHEMBL4395935 0.84 CAPN1 (0.72) CAPN1
SCHEMBL4393092 0.83 CAPN1 (0.75) CAPN1
SCHEMBL20873422 0.83 CAPN1 (0.75) CAPN1
SCHEMBL21457982 0.83 CAPN1 (0.62) CAPN1
SCHEMBL4390231 0.83 CAPN1 (0.62) CAPN1

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-2647386-A1 LISSENCEPHALY THERAPEUTIC AGENT Osaka City University (JP) 2013-10-09 EP disclosed
WO-2005056519-A1 ALPHA-KETOAMIDE DERIVATIVE, AND PRODUCTION METHOD AND USE THEREOF SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 WO disclosed