SCHEMBL4037337

SCHEMBL4037337

CC(C)CC(NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccccc2C#N)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.54
CTSL P07711 16/20 0.54
CTSS P25774 15/20 0.54
CTSB P07858 7/20 0.54
CTSV O60911 2/20 0.54

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
SCHEMBL461847 1.00 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096789 0.89 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096782 0.89 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL29590366 0.89 CTSL (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14342619 0.89 CTSL (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5581546 0.89 CTSL (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105990 0.86 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105986 0.86 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099597 0.85 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099601 0.85 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796677-A4 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORP (US) 2009-07-08 EP claimed
EP-1796677-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP claimed
WO-2006029209-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO claimed
US-20200085767-A1 Methods for Treating Hydrocephalus INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2020-03-19 US disclosed
WO-2018119356-A1 METHODS FOR TREATING HYDROCEPHALUS INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2018-06-28 WO disclosed