SCHEMBL7299031

SCHEMBL7299031

CCOC(=O)N(CCCCN1CC=C(c2ccccc2)CC1)c1ccc(OC)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
DRD3 P35462 1/20 0.41
PARP1 P09874 2/20 0.41
HTR7 P34969 1/20 0.41
POLB P06746 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
OPRM1 P35372 1/20 0.39

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
SCHEMBL7310058 0.94 PPARG (0.42) HTR1APPARGPPARAKDM4EDRD3
SCHEMBL7330914 0.94 HTR1A (0.46) HTR1APPARGPPARAKDM4EALDH1A1
SCHEMBL7305222 0.94 HTR1A (0.47) HTR1APPARGPPARAKDM4EALDH1A1
SCHEMBL7300303 0.92 HTR1A (0.46) HTR1APPARGPPARAKDM4EALDH1A1
SCHEMBL7299417 0.89 KDM4E (0.42) HTR1APPARGPPARAKDM4EALDH1A1
SCHEMBL7299099 0.89 HTR1A (0.48) HTR1APPARGPPARAKDM4EALDH1A1
SCHEMBL7306783 0.87 HTR1A (0.46) HTR1APPARGPPARAKDM4EALDH1A1
SCHEMBL7295815 0.87 PPARG (0.44) HTR1APPARGPPARAKDM4EALDH1A1
SCHEMBL7307549 0.87 HTR7 (0.39) HTR1APPARGPPARAKDM4EALDH1A1
SCHEMBL7365452 0.86 PPARG (0.43) HTR1APPARGPPARADRD3SIGMAR1

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