SCHEMBL4881506

SCHEMBL4881506

CC(C)C[C@H](NOCCCc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 20/20 0.79
CAPNS1 P04632 16/20 0.79

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
SCHEMBL4622725 0.88 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4622115 0.87 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4621806 0.83 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4621427 0.83 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4621809 0.83 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4622559 0.82 CAPN1 (0.86) CAPN1CAPNS1
SCHEMBL4622691 0.82 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4535870 0.82 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4536458 0.82 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4534922 0.82 CAPN1 (1.00) CAPN1CAPNS1

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
US-7465721-B2 2-hydroxytetrahydrofuran derivatives and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-12-16 US disclosed