SCHEMBL6852820

SCHEMBL6852820

O=CC1COCC(=O)N1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.46
EHMT2 Q96KQ7 1/20 0.42
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 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
SCHEMBL6176036 0.80 P2RX7 (0.45) P2RX7EHMT2HCRTR1HCRTR2MEN1
SCHEMBL6176040 0.80 P2RX7 (0.45) P2RX7EHMT2HCRTR1HCRTR2MEN1
SCHEMBL1189963 0.80 P2RX7 (0.46) P2RX7EHMT2HCRTR1HCRTR2MEN1
SCHEMBL1008150 0.80 P2RX7 (0.46) P2RX7EHMT2HCRTR1HCRTR2MEN1
SCHEMBL3333497 0.80 P2RX7 (0.46) P2RX7EHMT2HCRTR1HCRTR2MEN1
SCHEMBL1008151 0.80 P2RX7 (0.46) P2RX7EHMT2HCRTR1HCRTR2MEN1
SCHEMBL29135687 0.78 EHMT2 (0.45) EHMT2HCRTR1HCRTR2MEN1KMT2A
SCHEMBL29135683 0.78 EHMT2 (0.45) EHMT2HCRTR1HCRTR2MEN1KMT2A
SCHEMBL10215486 0.78 P2RX7 (0.47) P2RX7EHMT2HCRTR1HCRTR2MEN1
SCHEMBL6133023 0.78 P2RX7 (0.45) P2RX7EHMT2HCRTR1HCRTR2MEN1

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-2011023733-A1 ANHYDRATE FORMS OF A PYRIDINE DERIVATIVE GLAXOSMITHKLINE LLC (US) 2011-03-03 WO disclosed