SCHEMBL14623416

SCHEMBL14623416

CC(C)C[C@H](C=O)NC(=O)[C@@H](N)CN

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 7/20 0.44
▸ CTSK P43235 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ CTSB P07858 5/20 0.39
▸ SLC7A5 Q01650 1/20 0.38
▸ CACNA2D1 P54289 2/20 0.34
▸ CACNB3 P54284 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CACNA2D2 Q9NY47 1/20 0.34
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ LAP3 P28838 2/20 0.34
▸ PAX8 Q06710 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
SCHEMBL14623153 1.00 CAPN1 (0.44) CAPN1CTSKDPP4DPP9DPP7
SCHEMBL2739549 1.00 CAPN1 (0.44) CAPN1CTSKDPP4DPP9DPP7
SCHEMBL8817388 0.89 CAPN1 (0.46) CAPN1CTSKCTSBSLC7A5
SCHEMBL16565969 0.89 CAPN1 (0.46) CAPN1CTSKCTSBSLC7A5
SCHEMBL3487246 0.89 CAPN1 (0.46) CAPN1CTSKCTSBSLC7A5
SCHEMBL2475740 0.89 CAPN1 (0.46) CAPN1CTSKCTSBSLC7A5
SCHEMBL9572309 0.89 CAPN1 (0.46) CAPN1CTSKCTSBSLC7A5
SCHEMBL20375816 0.84 PAX8 (0.47) CAPN1CTSKDPP4DPP7CTSB
SCHEMBL20609254 0.84 PAX8 (0.47) CAPN1CTSKDPP4DPP7CTSB
SCHEMBL8621285 0.84 PAX8 (0.47) CAPN1CTSKDPP4DPP7CTSB

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-2006103274-A9 AGE INHIBITORS PHARMAMENS (FR) 2007-01-18 — — WO disclosed
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