SCHEMBL2907566

SCHEMBL2907566

CN(C)C(=O)C1COCC(=O)N1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.53
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37

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
SCHEMBL1189916 1.00 P2RX7 (0.53) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL10215490 0.85 P2RX7 (0.56) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL1190522 0.85 P2RX7 (0.58) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL1005866 0.85 P2RX7 (0.58) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL311394 0.85 P2RX7 (0.58) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL6179978 0.84 P2RX7 (0.57) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL6179972 0.84 P2RX7 (0.57) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL10270030 0.83 P2RX7 (0.57) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL3337871 0.83 P2RX7 (0.57) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL3333492 0.83 P2RX7 (0.56) P2RX7HCRTR1HCRTR2MEN1KMT2A

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-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed