SCHEMBL4056919

SCHEMBL4056919

CC(C)(C)[C@H](NC(=O)O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.33
CCR2 P41597 1/20 0.33
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CMA1 P23946 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CTSF Q9UBX1 1/20 0.31

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
SCHEMBL8012376 0.85 ELANE (0.43) ELANECTSLCTSBCTSK
SCHEMBL3229202 0.73 CHRNB2 (0.47)
SCHEMBL4234591 0.72 CCR2 (0.31) CCR2
SCHEMBL3224952 0.68 HRH4 (0.45)
SCHEMBL22138808 0.67 DPP4 (0.40)
SCHEMBL24425245 0.66 CTSV (0.47) ELANECTSVCTSLCTSBCMA1
SCHEMBL27348836 0.66 NR1I2 (0.34) CTSL
SCHEMBL4052407 0.65 DPP4 (0.50)
SCHEMBL3226083 0.65 DPP4 (0.50)
SCHEMBL16474261 0.65 CASP1 (0.44) CTSLCTSBCTSSCTSK

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
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed