SCHEMBL7303442

SCHEMBL7303442

CCOC(=O)N(CCCCN1CC=C(c2ccccc2)CC1)c1c(Cl)cccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.47
SIGMAR1 Q99720 4/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
HTR1A P08908 2/20 0.42
DRD4 P21917 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 2/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL7306214 0.93 SIGMAR1 (0.46) HTR7SIGMAR1KDM4ELMNAHTR1A
SCHEMBL7305648 0.91 KDM4E (0.44) HTR7SIGMAR1KDM4ELMNAHTR1A
SCHEMBL7307166 0.88 KDM4E (0.43) HTR7SIGMAR1KDM4ELMNAHTR1A
SCHEMBL7308261 0.85 HTR7 (0.45) HTR7SIGMAR1KDM4ELMNAMAPT
SCHEMBL7310638 0.84 KDM4E (0.43) HTR7SIGMAR1KDM4ELMNAHTR1A
SCHEMBL7359856 0.82 KDM4E (0.44) HTR7SIGMAR1KDM4ELMNAHTR1A
SCHEMBL7299417 0.82 KDM4E (0.42) HTR7SIGMAR1KDM4EHTR1AALDH1A1
SCHEMBL7310058 0.81 PPARG (0.42) HTR7SIGMAR1KDM4EHTR1ADRD4
SCHEMBL7299031 0.81 HTR1A (0.46) HTR7SIGMAR1KDM4EHTR1AALDH1A1
SCHEMBL7330914 0.81 HTR1A (0.46) HTR7SIGMAR1KDM4EHTR1AALDH1A1

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