SCHEMBL4824348

SCHEMBL4824348

CCOC(Cc1ccc(NCCN2CCOc3ccccc32)cc1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
TSHR P16473 4/20 0.36
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPY4R P50391 7/20 0.33
NPY1R P25929 5/20 0.33
NPY2R P49146 4/20 0.32
NPY5R Q15761 4/20 0.32
RORC P51449 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4826323 0.97 PPARG (0.37) PPARGPPARATSHRHPGDMAPT
Arginine SCHEMBL4824341 0.91 PPARG (0.45) PPARGPPARATSHRHPGDMAPT
Arginine SCHEMBL4824344 0.91 PPARG (0.45) PPARGPPARATSHRHPGDMAPT
SCHEMBL4822383 0.90 PPARG (0.43) PPARGPPARATSHRMAPTLMNA
SCHEMBL4867157 0.90 PPARG (0.45) PPARGPPARATSHRHPGDMAPT
SCHEMBL4824935 0.89 TSHR (0.34) PPARGPPARATSHRHPGDMAPT
SCHEMBL4823696 0.88 NPY4R (0.32) TSHRHPGDNPY4RNPY1RNPY2R
SCHEMBL4825272 0.88 NPY4R (0.32) TSHRHPGDNPY4RNPY1RNPY2R
SCHEMBL4820171 0.88 RAB9A (0.40) PPARGPPARAMAPTLMNARXFP1
Arginine SCHEMBL4826319 0.88 PPARG (0.44) PPARGPPARATSHRHPGD

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