SCHEMBL6893476

SCHEMBL6893476

Cc1ccc(N2CCC(=O)C(Br)C2=O)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
GRM5 P41594 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
SCHEMBL13172669 0.83 GPR119 (0.41) GPR119GRM5DHFRHRH3
SCHEMBL46339 0.77 GRIN2D (0.46) GPR119GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL46307 0.75 GPR119 (0.41) GPR119GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL46316 0.74 SMN1; SMN2 (0.41) GPR119GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25026920 0.72 CRBN (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30470842 0.71 CNR2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL46340 0.71 CNR2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25668035 0.70 CNR2 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19454936 0.68 TDO2 (0.48) GPR119GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26449823 0.68 GRM5 (0.42) GPR119GRIN2DGRIN3BGRIN1GRIN2A

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-2011073339-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO disclosed