SCHEMBL20124827

SCHEMBL20124827

Nc1ccc(N2CCC(N)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
HTR3E A5X5Y0 1/20 0.46
MEN1 O00255 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR3A P46098 1/20 0.46

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 0.90 HRH4 (0.49) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3637927 0.90 HRH4 (0.49) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29499599 0.85 GRIN2D (0.59) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19998348 0.85 GRIN2D (0.59) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL853768 0.84 GRIN2D (0.49) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12832973 0.84 MAPT (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30336242 0.84 MAPT (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15650218 0.83 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17076726 0.83 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20124848 0.81 GRIN2D (0.49) HRH3GRIN2DGRIN3BGRIN1GRIN2A

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