SCHEMBL7360979

SCHEMBL7360979

CCOC(=O)N(CCCCN1CC=C(c2ccccc2)CC1)c1cc(OC)c(OC)cc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 5/20 0.42
MAPT P10636 3/20 0.42
HTR7 P34969 1/20 0.42
PARP1 P09874 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTR1A P08908 2/20 0.40
CASP1 P29466 1/20 0.38
HBB P68871 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
GAA P10253 1/20 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
SCHEMBL7301695 0.93 KDM4E (0.44) DRD3KDM4EMAPTHTR7PARP1
SCHEMBL7299417 0.92 KDM4E (0.42) DRD3KDM4EMAPTHTR7PARP1
SCHEMBL7300303 0.89 HTR1A (0.46) DRD3KDM4EMAPTPARP1SIGMAR1
SCHEMBL7306783 0.89 HTR1A (0.46) DRD3KDM4EMAPTPARP1SIGMAR1
SCHEMBL7301503 0.87 HTR7 (0.43) DRD3KDM4EMAPTHTR7PARP1
SCHEMBL7298911 0.85 ALDH1A1 (0.40) DRD3KDM4EMAPTHTR7SIGMAR1
SCHEMBL7299099 0.85 HTR1A (0.48) DRD3KDM4EMAPTPARP1SIGMAR1
SCHEMBL7297468 0.83 DRD3 (0.41) DRD3KDM4EMAPTHTR7PARP1
SCHEMBL7307713 0.83 HTR7 (0.44) DRD3KDM4EMAPTHTR7PARP1
SCHEMBL7330914 0.83 HTR1A (0.46) DRD3KDM4EMAPTHTR7PARP1

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