SCHEMBL20124848

SCHEMBL20124848

Nc1ccc(N2CC(N)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
HRH3 Q9Y5N1 4/20 0.42
HRH4 Q9H3N8 3/20 0.40
OGA O60502 1/20 0.37
MAP4K4 O95819 2/20 0.35
UBE2T Q9NPD8 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
HDAC1 Q13547 1/20 0.33
CHRNA7 P36544 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 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
SCHEMBL10281903 0.86 HRH4 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3637927 0.86 HRH4 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21463515 0.83 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30615603 0.83 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1101091 0.83 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1099704 0.83 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL751184 0.83 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20124827 0.81 HRH3 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22466052 0.80 SMPD3 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22466270 0.80 SMPD3 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed