SCHEMBL7500916

SCHEMBL7500916

CCCN(CCC)C(=O)COc1nc(-c2ccc(F)cc2)nc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CACNB4 O00305 2/20 0.43
CACNA1A O00555 2/20 0.43
CACNA1G O43497 2/20 0.43
CACNG3 O60359 2/20 0.43
CACNA1F O60840 2/20 0.43
CACNA1H O95180 2/20 0.43
ACHE P22303 2/20 0.43
CACNB3 P54284 2/20 0.43
CACNA2D1 P54289 2/20 0.43
CACNG7 P62955 2/20 0.43
CACNA1B Q00975 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNB1 Q02641 2/20 0.43
CACNG1 Q06432 2/20 0.43
CACNB2 Q08289 2/20 0.43
CACNA1S Q13698 2/20 0.43
CACNA1C Q13936 2/20 0.43

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
SCHEMBL7504573 0.72 PDE4B (0.53) POLBTP53MAPTPDE4B
SCHEMBL7495188 0.71 POLB (0.54) POLBPDE4B
SCHEMBL7496421 0.71 LMNA (0.46) POLBMAPTPDE4B
SCHEMBL7501517 0.71 TP53 (0.52) POLBTP53PDE4BPDE4D
SCHEMBL7497628 0.69 GAA (0.45) POLBTP53
SCHEMBL4807895 0.69 GABRA1 (0.54)
SCHEMBL4805292 0.69 PDE5A (0.51) PDE4B
SCHEMBL7507122 0.68 KCNH2 (0.48) POLBTP53MAPT
SCHEMBL7506752 0.68 GAA (0.44) POLBTP53
SCHEMBL7501896 0.66 L3MBTL1 (0.51) POLBTDP1TP53MAPT

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-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed