SCHEMBL5797364

SCHEMBL5797364

CCC(C)NC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2cc(Cl)c(O)cc12.CCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2cc(Cl)c(O)cc12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.56
PTGS1 P23219 4/20 0.51
HRH4 Q9H3N8 1/20 0.49

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
SCHEMBL5808351 0.94 PTGS2 (0.55) PTGS2PTGS1HRH4
SCHEMBL5553965 0.92 PTGS2 (0.64) PTGS2
SCHEMBL5554102 0.92 PTGS2 (0.59) PTGS2PTGS1HRH4
SCHEMBL5801401 0.88 PTGS2 (0.51) PTGS2PTGS1HRH4
SCHEMBL5554150 0.87 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5560111 0.87 PTGS2 (0.66) PTGS2PTGS1HRH4
SCHEMBL6426432 0.87 PTGS2 (0.55) PTGS2PTGS1HRH4
SCHEMBL5559384 0.85 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5558838 0.85 PTGS2 (0.62) PTGS2
SCHEMBL5554091 0.85 PTGS2 (0.57) PTGS2PTGS1HRH4

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-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed