SCHEMBL7923932

SCHEMBL7923932

CC(C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CC(Cc2ccc(-c3ccccc3CN)cc2)c2c(ccc3ccccc23)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.35
CTSS P25774 4/20 0.33
CTSK P43235 4/20 0.33
CTSB P07858 2/20 0.33
CTSL P07711 3/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
TNKS O95271 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
TACR1 P25103 2/20 0.31
PARP1 P09874 1/20 0.31
PLG P00747 1/20 0.31
KLKB1 P03952 1/20 0.31
PROC P04070 1/20 0.31
CCKBR P32239 1/20 0.31
GHSR Q92847 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
SCHEMBL7930390 0.91 TACR1 (0.36) NAAATNKSTNKS2TACR1PLG
SCHEMBL7932739 0.75 RIPK1 (0.38) NAAACTSSCTSKCTSBCTSL
SCHEMBL7932706 0.75 CASR (0.30)
SCHEMBL7923927 0.71 GHSR (0.31) GHSR
SCHEMBL7791777 0.70 GHSR (0.61) GHSR
SCHEMBL7930376 0.70 GHSR (0.32) GHSR
SCHEMBL7930347 0.69 GHSR (0.37) GHSR
SCHEMBL7932143 0.69 GHSR (0.38) GHSR
SCHEMBL7936524 0.69 GHSR (0.39) GHSR
SCHEMBL8332959 0.68 RIPK1 (0.49)

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-6211174-B1 OSTEOPOROSIS; MILK PRODUCTION AND CARCASS QUALITY IN LIVESTOCK; SHORT STATURE; METABOLIC DISORDERS MERCK & CO., INC. 2001-04-03 US disclosed