SCHEMBL7306214

SCHEMBL7306214

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
HTR1A P08908 2/20 0.43
DRD4 P21917 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR7 P34969 5/20 0.42
PARP1 P09874 2/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HTR2B P41595 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 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
SCHEMBL7303442 0.93 HTR7 (0.47) SIGMAR1KDM4ELMNAHTR1ADRD4
SCHEMBL7305648 0.92 KDM4E (0.44) SIGMAR1KDM4ELMNAHTR1ADRD4
SCHEMBL7310638 0.87 KDM4E (0.43) SIGMAR1KDM4ELMNAHTR1ADRD4
SCHEMBL7307166 0.84 KDM4E (0.43) SIGMAR1KDM4ELMNAHTR1ADRD4
SCHEMBL7359856 0.83 KDM4E (0.44) SIGMAR1KDM4ELMNAHTR1ADRD4
SCHEMBL7308008 0.81 SIGMAR1 (0.42) SIGMAR1KDM4EHTR1ADRD4ALDH1A1
SCHEMBL7301695 0.81 KDM4E (0.44) SIGMAR1KDM4EHTR1AALDH1A1MAPT
SCHEMBL7299099 0.81 HTR1A (0.48) SIGMAR1KDM4EHTR1AALDH1A1MAPT
SCHEMBL7305222 0.80 HTR1A (0.47) SIGMAR1KDM4EHTR1AALDH1A1MAPT
SCHEMBL7295815 0.80 PPARG (0.44) SIGMAR1KDM4EHTR1ADRD4ALDH1A1

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