SCHEMBL14224013

SCHEMBL14224013

CCOC(C)Cc1ccc(NCCCN2CCOc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TSHR P16473 4/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 1/20 0.38
RORC P51449 4/20 0.36
CACNA1B Q00975 3/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 1/20 0.34

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
SCHEMBL14224106 0.90 HTR1A (0.41) HTR1ASLC6A4PPARGPPARATSHR
SCHEMBL12663596 0.89 HTR1A (0.40) HTR1ASLC6A4PPARGPPARATSHR
SCHEMBL1868139 0.88 PPARG (0.54) PPARGPPARATSHRMAPTLMNA
SCHEMBL4823788 0.88 PPARG (0.54) PPARGPPARATSHRMAPTLMNA
SCHEMBL4827197 0.88 PPARG (0.54) PPARGPPARATSHRMAPTLMNA
SCHEMBL14194946 0.88 HTR1A (0.41) HTR1ASLC6A4PPARGPPARATSHR
SCHEMBL4826375 0.87 PPARG (0.54) PPARGPPARATSHRMAPTLMNA
SCHEMBL14223965 0.86 PPARG (0.49) HTR1ASLC6A4PPARGPPARATSHR
SCHEMBL1858905 0.85 PPARG (0.45) HTR1ASLC6A4PPARGPPARATSHR
SCHEMBL4826382 0.85 PPARG (0.47) HTR1ASLC6A4PPARGPPARATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed