SCHEMBL4041176

SCHEMBL4041176

CCCC(NC(=O)Oc1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.36
CTSK P43235 19/20 0.36
CTSS P25774 18/20 0.36
CTSB P07858 2/20 0.35
CTSV O60911 1/20 0.35
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34

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
SCHEMBL4045875 0.93 CTSK (0.41) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4048926 0.91 CTSL (0.39) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4043984 0.91 CTSK (0.39) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4045509 0.90 PREP (0.33) CTSKPREPFAP
SCHEMBL4044612 0.90 PREP (0.33) CTSKPREPFAP
SCHEMBL4040568 0.89 CTSK (0.36) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4047847 0.89 CTSK (0.38) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4043056 0.87 HSD17B10 (0.36) PREPFAP
SCHEMBL4041899 0.86 CTSK (0.39) CTSLCTSKCTSSPREPFAP
SCHEMBL4051191 0.85 CTSK (0.37) CTSLCTSKCTSSCTSBCTSV

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
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP claimed