SCHEMBL14865448

SCHEMBL14865448

Cc1c(CI)cc(C(=O)N[C@H](C(=O)O)c2ccccc2)c(=O)n1Cc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
PPARG P37231 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PTGES O14684 1/20 0.39
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GNRHR P30968 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
BRD4 O60885 1/20 0.37
CCR2 P41597 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5520940 0.89 CNR2 (0.44) CNR1CNR2PPARGMAPTALDH1A1
SCHEMBL14865403 0.82 CNR2 (0.50) CNR1CNR2ALDH1A1
SCHEMBL27660200 0.81 TACR3 (0.47) PPARGMAPTALDH1A1KMT2AMEN1
SCHEMBL5521700 0.81 TACR3 (0.47) PPARGMAPTALDH1A1KMT2AMEN1
SCHEMBL5516376 0.76 KMT2A (0.47) CNR1CNR2PPARGALDH1A1CA1
SCHEMBL11923131 0.75 CNR2 (0.48) CNR1CNR2PPARGKMT2AMEN1
SCHEMBL5516389 0.74 MEN1 (0.48) CNR1CNR2PPARGMAPTALDH1A1
SCHEMBL5522248 0.73 CNR2 (0.50) CNR1CNR2PPARGKMT2AMEN1
SCHEMBL2746633 0.73 CNR2 (0.50) CNR1CNR2PPARGKMT2AMEN1
SCHEMBL5524739 0.73 ATM (0.52) CNR1CNR2PPARGKEAP1NFE2L2

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