SCHEMBL5049599

SCHEMBL5049599

NC(=O)Cc1ccccc1C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
NAAA Q02083 1/20 0.41
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
OPRL1 P41146 1/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL3979460 0.97 PTGDR2 (0.45) PTGDR2NAAASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5051903 0.95 PTGDR2 (0.44) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL5049361 0.95 PTGDR2 (0.48) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL5051928 0.95 PTGDR2 (0.48) PTGDR2NAAASLC6A2SLC6A4SLC6A3
Cadaverine Tartrate SCHEMBL5053653 0.90 PTGDR2 (0.39) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL5226189 0.82 KDM4E (0.40) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL9780785 0.81 PTGDR2 (0.48) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL11083007 0.81 ALDH1A1 (0.34) CYP2C19ALDH1A1GLAHPGD
SCHEMBL3633503 0.81 PTGDR2 (0.54) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL3107649 0.81 PTGDR2 (0.50) PTGDR2NAAASLC6A2SLC6A4SLC6A3

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
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed