SCHEMBL4700769

SCHEMBL4700769

CC(C)C[C@H](N)C(=O)N(CC#N)c1nscc1-c1ccc(N2CCNCC2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.38
CTSS P25774 11/20 0.38
CTSB P07858 10/20 0.38
CTSK P43235 9/20 0.38
PRKD1 Q15139 1/20 0.32
USP28 Q96RU2 1/20 0.32
USP25 Q9UHP3 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
RET P07949 1/20 0.30

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
SCHEMBL4701287 0.84 CTSL (0.35) CTSLCTSSCTSBCTSKPRKD1
SCHEMBL4700000 0.80 CTSB (0.34) CTSLCTSSCTSBCTSK
SCHEMBL4702315 0.76 AAK1 (0.33) CTSLCTSSCTSBCTSK
SCHEMBL4703534 0.76 GSK3B (0.33) CTSLCTSSCTSK
SCHEMBL4703740 0.75 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL6208510 0.75 CTSB (0.39) CTSLCTSSCTSBCTSK
SCHEMBL4701834 0.75 CTSB (0.39) CTSLCTSSCTSBCTSK
SCHEMBL4700767 0.75 CTSL (0.58) CTSLCTSSCTSBCTSKPRKD1
SCHEMBL6209286 0.73 KDM4E (0.36) CTSB
SCHEMBL6209280 0.73 KDM4E (0.36) CTSB

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-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed