SCHEMBL4040326

SCHEMBL4040326

CC(C)CC(NC(=O)c1ccc(N2CCCC2)cc1)C(=O)N1CCC2C1C(=O)CN2OC(=O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.56
CTSS P25774 4/20 0.44
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
CCR1 P32246 2/20 0.40
SMYD3 Q9H7B4 1/20 0.39
CACNA1B Q00975 1/20 0.37

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
SCHEMBL4043683 0.95 CTSK (0.54) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4047026 0.95 CTSK (0.60) CTSKCTSSCTSL
SCHEMBL4050121 0.94 CTSK (0.54) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4046427 0.91 CTSK (0.58) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4046824 0.90 CTSK (0.70) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4044579 0.89 CTSK (0.71) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4042313 0.89 CTSK (0.64) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4041651 0.88 CTSK (0.55) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4045496 0.88 CTSK (0.60) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4048280 0.88 CTSK (0.56) CTSKCTSSCTSVCTSLCCR1

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-7514417-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2009-04-07 US disclosed