SCHEMBL14096893

SCHEMBL14096893

COC(=O)C(=O)N1CCc2c(c(-c3ccc(C)c(C)c3)nn2CC(O)CN2CCN(c3ccccc3C#N)CC2)C1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.88

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
SCHEMBL2973893 0.94 CTSS (1.00) CTSS
SCHEMBL14640883 0.93 CTSS (0.83) CTSS
SCHEMBL8408388 0.86 CTSS (0.87) CTSS
SCHEMBL2977059 0.85 CTSS (0.78) CTSS
SCHEMBL2986246 0.84 CTSS (0.83) CTSS
SCHEMBL2983001 0.84 CTSS (0.77) CTSS
SCHEMBL5252063 0.84 CTSS (0.83) CTSS
SCHEMBL14163480 0.84 CTSS (0.64) CTSS
SCHEMBL2981395 0.83 CTSS (0.82) CTSS
SCHEMBL2972529 0.82 CTSS (0.80) CTSS

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-7429591-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-30 — — US disclosed
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