SCHEMBL13845879

SCHEMBL13845879

COc1ccc(O)c(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC(=O)O)c2ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.47
ALDH1A1 P00352 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL3738791 0.91 KMT2A (0.53) OPRL1PTGDR2ALDH1A1
SCHEMBL3735016 0.83 OPRL1 (0.58) OPRL1ALDH1A1OPRM1OPRK1
SCHEMBL3738860 0.78 OPRL1 (0.52) OPRL1ALDH1A1EGLN1
SCHEMBL3730232 0.77 HSD11B1 (0.50) OPRL1EGLN1
SCHEMBL13077798 0.77 KMT2A (0.54) OPRL1ALDH1A1
SCHEMBL3742780 0.77 OPRL1 (0.53) OPRL1OPRM1OPRK1EGLN1
SCHEMBL3729068 0.77 OPRL1 (0.54) OPRL1ALDH1A1OPRM1OPRK1EGLN1
SCHEMBL3736827 0.76 KMT2A (0.51) OPRL1ALDH1A1EGLN1
SCHEMBL3733515 0.76 OPRL1 (0.54) OPRL1PTGDR2ALDH1A1EGLN1
SCHEMBL3742691 0.76 EGLN1 (0.47) OPRL1ALDH1A1OPRM1OPRK1EGLN1

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
WO-2009061676-A2 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed