SCHEMBL4014416

SCHEMBL4014416

CC(=O)c1ccc(OCC2CCN(C(C)(C)C)CC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.43
PARP15 Q460N3 3/20 0.43
MAOB P27338 6/20 0.41
F10 P00742 2/20 0.41
PARP2 Q9UGN5 1/20 0.41
ACACB O00763 1/20 0.41
MAOA P21397 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL27823231 0.89 PARP10 (0.40) PARP10PARP15MAOBF10PARP2
SCHEMBL983929 0.87 PARP10 (0.53) PARP10PARP15PARP2ACACBFFAR1
SCHEMBL3325497 0.85 GPR119 (0.52)
SCHEMBL4014417 0.79 PDE4A (0.44) MAOBMAOA
SCHEMBL30384182 0.79 PDE4A (0.44) MAOBMAOA
SCHEMBL12813515 0.76 SIGMAR1 (0.43)
SCHEMBL1390989 0.76 PARP10 (0.53) PARP10PARP15PARP2FFAR1
SCHEMBL15537877 0.75 GPR119 (0.58)
SCHEMBL7963745 0.75 ALDH1A1 (0.53)
SCHEMBL7963747 0.75 ALDH1A1 (0.53)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO disclosed