SCHEMBL6375908

SCHEMBL6375908

Brc1cccc(N2C[C@H]3OCCO[C@@H]3C2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
ALOX5 P09917 2/20 0.43
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
PIK3CA P42336 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
HTR3E A5X5Y0 3/20 0.33
HTR3B O95264 3/20 0.33
HTR3A P46098 3/20 0.33
HTR3D Q70Z44 3/20 0.33
HTR3C Q8WXA8 3/20 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
SCHEMBL17610091 0.77 GRIN2B (0.49) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6379561 0.77 GRIN2B (0.49) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10183489 0.77 ALDH1A1 (0.48) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2722842 0.77 ALDH1A1 (0.48) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2722843 0.77 ALDH1A1 (0.48) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5329 0.74 GRIN2D (0.53) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29789768 0.74 GRIN2D (0.53) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31469904 0.73 ALOX5 (0.47) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31383621 0.73 ALOX5 (0.47) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7394734 0.73 PRKCQ (0.48) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed