SCHEMBL8202568

SCHEMBL8202568

Cc1c(F)cc(CNC(=O)OC(C)(C)C)c2c1OCC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KA1 Q15418 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
ADRB1 P08588 2/20 0.34
ADRB2 P07550 2/20 0.34
TOP1 P11387 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
SERPINE1 P05121 1/20 0.33
KDM4A O75164 1/20 0.33

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
SCHEMBL8189655 0.91 L3MBTL1 (0.38) RPS6KA1L3MBTL1BRD4CREBBPADRB1
SCHEMBL8197296 0.79 BRD4 (0.39) RPS6KA1L3MBTL1BRD4CREBBPADRB1
SCHEMBL8196981 0.78 PARP1 (0.40) RPS6KA1L3MBTL1BRD4CREBBPDDB1
SCHEMBL8201875 0.77 NR3C2 (0.39) ADRB1ADRB2PDE3BPDE3A
SCHEMBL8195296 0.77 BRD4 (0.43) L3MBTL1BRD4CREBBPADRB1ADRB2
SCHEMBL8189703 0.77 L3MBTL1 (0.41) L3MBTL1BRD4CREBBP
SCHEMBL8191691 0.77 RPS6KA1 (0.42) RPS6KA1L3MBTL1BRD4CREBBPADRB1
SCHEMBL8200742 0.73 NR3C2 (0.50) L3MBTL1BRD4CREBBPADRB1ADRB2
SCHEMBL13343842 0.70 L3MBTL1 (0.39) RPS6KA1L3MBTL1BRD4CREBBPPRMT5
SCHEMBL8189695 0.70 ADRB2 (0.36) ADRB1ADRB2

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-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed