SCHEMBL6821686

SCHEMBL6821686

O=C1CC[C@@](Cc2ccncc2)(NC(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
POLB P06746 1/20 0.47
PPIA P62937 1/20 0.40
CTSS P25774 5/20 0.39
CTSL P07711 4/20 0.39
CTSB P07858 3/20 0.39
CTSK P43235 4/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
GDA Q9Y2T3 1/20 0.37
GAA P10253 1/20 0.37
P2RX7 Q99572 1/20 0.37
ROCK2 O75116 1/20 0.37
NAAA Q02083 1/20 0.36

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
SCHEMBL1399077 0.83 DDB1 (0.57) DDB1CRBNPPIACTSSCTSL
SCHEMBL6813890 0.83 DDB1 (0.57) DDB1CRBNPPIACTSSCTSL
SCHEMBL6817653 0.82 DDB1 (0.51) DDB1CRBNPPIACTSSCTSL
SCHEMBL1399003 0.81 DDB1 (0.55) DDB1CRBNPPIACTSSCTSL
SCHEMBL6818881 0.79 DDB1 (0.52) DDB1CRBNPPIACTSSCTSL
SCHEMBL8073977 0.78 CTSS (0.46) DDB1CRBNPOLBPPIACTSS
SCHEMBL1398960 0.76 CRBN (0.60) DDB1CRBNCTSSCTSLCTSB
SCHEMBL12355229 0.74 DDB1 (0.47) DDB1CRBNCTSSCTSLCTSB
SCHEMBL26833122 0.71 DDB1 (0.44) DDB1CRBNPOLBCTSSCTSL
SCHEMBL9834528 0.71 PPIA (0.46) PPIACTSSCTSLCTSBCTSK

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-2004022536-A1 NEW HETEROCYCLIC AMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (US) 2004-03-18 WO disclosed