SCHEMBL1729381

SCHEMBL1729381

C#CC1CCN(c2cccc(Br)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
HTR3E A5X5Y0 5/20 0.42
HTR3B O95264 5/20 0.42
HTR3A P46098 5/20 0.42
HTR3D Q70Z44 5/20 0.42
HTR3C Q8WXA8 5/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 2/20 0.41

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
SCHEMBL1730391 0.81 HTR3E (0.57) GRIN2BHTR3EHTR3BHTR3AHTR3D
SCHEMBL7282795 0.79 HTR3E (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15086912 0.79 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2812913 0.79 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL5224289 0.78 HTR3E (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30569560 0.76 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29615080 0.76 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL419024 0.76 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15321816 0.76 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21258874 0.75 PDE10A (0.47) 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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP disclosed