SCHEMBL14865429

SCHEMBL14865429

CCCCc1c(CCC)cc(C(=O)NO)c(=O)n1CCOC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.44
CNR1 P21554 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
TLR7 Q9NYK1 1/20 0.35
UNG P13051 1/20 0.34
PIK3CA P42336 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SMPD1 P17405 3/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL11922699 0.89 CNR2 (0.43) CNR2CNR1ALDH1A1KDM4EGLA
SCHEMBL11922863 0.82 CNR2 (0.55) CNR2CNR1
SCHEMBL5520750 0.80 CNR2 (0.42) CNR2CNR1ALDH1A1KDM4EGLA
SCHEMBL2745285 0.78 CNR2 (0.43) CNR2CNR1ALDH1A1KMT2A
SCHEMBL5509591 0.78 CNR2 (0.49) CNR2CNR1ALDH1A1KDM4EGLA
SCHEMBL5516411 0.77 ALDH1A1 (0.42) CNR2CNR1ALDH1A1KDM4EGLA
SCHEMBL5517650 0.76 CNR2 (0.48) CNR2CNR1ALDH1A1KDM4EKMT2A
SCHEMBL2746600 0.76 CNR2 (0.48) CNR2CNR1ALDH1A1KDM4EKMT2A
SCHEMBL5516377 0.75 CNR2 (0.47) CNR2CNR1
SCHEMBL5524288 0.74 CNR2 (0.68) CNR2CNR1

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
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed