SCHEMBL7301503

SCHEMBL7301503

CCOC(=O)N(CCCCN1CC=C(c2ccccc2)CC1)c1cccc(OC)c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
PARP1 P09874 1/20 0.43
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
CACNA1G O43497 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR1A P08908 2/20 0.38

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
SCHEMBL7307713 0.93 HTR7 (0.44) HTR7PARP1DRD3KDM4EMAPT
SCHEMBL7297468 0.92 DRD3 (0.41) HTR7PARP1DRD3KDM4EMAPT
SCHEMBL7302447 0.90 PARP1 (0.42) HTR7PARP1DRD3KDM4EMAPT
SCHEMBL7359856 0.90 KDM4E (0.44) HTR7PARP1DRD3KDM4EMAPT
SCHEMBL7310797 0.87 DRD3 (0.38) HTR7DRD3KDM4EMAPTSIGMAR1
SCHEMBL7360979 0.87 DRD3 (0.44) HTR7PARP1DRD3KDM4EMAPT
SCHEMBL7308008 0.85 SIGMAR1 (0.42) HTR7PARP1DRD3KDM4EMAPT
SCHEMBL7310638 0.84 KDM4E (0.43) HTR7PARP1KDM4EMAPTSIGMAR1
SCHEMBL7307166 0.83 KDM4E (0.43) HTR7PARP1KDM4EMAPTSIGMAR1
SCHEMBL7301695 0.83 KDM4E (0.44) HTR7PARP1DRD3KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304560-A Treating CNS disorders; dopamine receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-19 US disclosed
EP-0481342-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed