SCHEMBL7310058

SCHEMBL7310058

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.42
PPARA Q07869 5/20 0.42
HTR7 P34969 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
HTR1A P08908 3/20 0.40
DRD4 P21917 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DRD3 P35462 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
SCHEMBL7299031 0.94 HTR1A (0.46) PPARGPPARAHTR7HTR1ASIGMAR1
SCHEMBL7295815 0.94 PPARG (0.44) PPARGPPARAS1PR1S1PR3HTR1A
SCHEMBL7365452 0.93 PPARG (0.43) PPARGPPARAS1PR1S1PR3HTR1A
SCHEMBL7330914 0.87 HTR1A (0.46) PPARGPPARAHTR7HTR1ASIGMAR1
SCHEMBL7305222 0.87 HTR1A (0.47) PPARGPPARAHTR1ASIGMAR1KDM4E
SCHEMBL7307549 0.87 HTR7 (0.39) PPARGPPARAHTR7HTR1ADRD4
SCHEMBL7299417 0.86 KDM4E (0.42) PPARGPPARAHTR7HTR1ASIGMAR1
SCHEMBL7300303 0.85 HTR1A (0.46) PPARGPPARAHTR1ASIGMAR1KDM4E
SCHEMBL7308261 0.85 HTR7 (0.45) PPARGPPARAHTR7SIGMAR1KDM4E
SCHEMBL7299099 0.83 HTR1A (0.48) PPARGPPARAHTR1ASIGMAR1KDM4E

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