SCHEMBL9703662

SCHEMBL9703662

O=c1[nH]c2cc3c(cc2[nH]1)NCCC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.52
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
ATM Q13315 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
GAA P10253 2/20 0.37

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
SCHEMBL608013 0.75 AR (0.53) ARATMMAPTKDM4ECA12
SCHEMBL9379542 0.72 KIF11 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15290389 0.71 MAPT (0.47) ARGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5228055 0.70 AR (0.49) ARATMMAPTKDM4ECA12
SCHEMBL721458 0.70 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2858835 0.70 AR (0.90) AR
SCHEMBL10911472 0.68 ATM (0.53) ARATMMAPTKDM4ECA12
SCHEMBL11015073 0.68 MAPT (0.44) ARATMMAPTKDM4ECA12
SCHEMBL20877573 0.68 KDM4E (0.49) ARATMMAPTKDM4ECA12
SCHEMBL2217869 0.68 MAPT (0.45) ARATMMAPTKDM4ECA12

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
US-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed