SCHEMBL11570486

SCHEMBL11570486

CC(C)C[C@@H]([C]=O)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL9787675 0.78 SLC7A5 (0.35) CTSLCTSBCTSSCTSK
SCHEMBL7269855 0.78 SLC7A5 (0.41) CTSLCTSBCTSSCTSK
SCHEMBL27492980 0.75 AAK1 (0.39) CTSLCTSBCTSSCTSKAAK1
SCHEMBL3045850 0.73 DPP4 (0.45) DPP4
SCHEMBL3045853 0.73 DPP4 (0.45) DPP4
SCHEMBL7346109 0.73 SLC7A5 (0.38) DPP4
SCHEMBL18277721 0.71 SLC7A5 (0.34) DPP4
SCHEMBL27766846 0.71 AAK1 (0.34) AAK1
SCHEMBL6295278 0.71 DPP4 (0.36) DPP4CA1CA2CA7
SCHEMBL26108601 0.68 GSR (0.36)

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-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US disclosed