SCHEMBL7305648

SCHEMBL7305648

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 5/20 0.44
HTR1A P08908 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 1/20 0.41
HTR7 P34969 5/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 2/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR2B P41595 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 0.92 SIGMAR1 (0.46) KDM4ELMNASIGMAR1HTR1ADRD4
SCHEMBL7303442 0.91 HTR7 (0.47) KDM4ELMNASIGMAR1HTR1ADRD4
SCHEMBL7359856 0.88 KDM4E (0.44) KDM4ELMNASIGMAR1HTR1ADRD4
SCHEMBL7310638 0.83 KDM4E (0.43) KDM4ELMNASIGMAR1HTR1ADRD4
SCHEMBL7360979 0.83 DRD3 (0.44) KDM4ESIGMAR1HTR1ADRD3HTR7
SCHEMBL7297468 0.82 DRD3 (0.41) KDM4ESIGMAR1HTR1ADRD4DRD3
SCHEMBL7307166 0.82 KDM4E (0.43) KDM4ELMNASIGMAR1HTR1ADRD4
SCHEMBL7300303 0.82 HTR1A (0.46) KDM4ESIGMAR1HTR1ADRD3ALDH1A1
SCHEMBL7306783 0.82 HTR1A (0.46) KDM4ESIGMAR1HTR1ADRD3ALDH1A1
SCHEMBL7302447 0.81 PARP1 (0.42) KDM4ESIGMAR1HTR1ADRD4DRD3

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