Sugi Predict

Sugi Predict / Compounds / SCHEMBL5800870

SCHEMBL5800870

SCHEMBL5800870

CCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2cc(F)c(O)cc12.Cc1c(CC(=O)NC(C)C)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 19/20 0.46
▸ PTGS1 P23219 3/20 0.46
▸ HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL5554606 0.94 PTGS2 (0.50) PTGS2PTGS1HRH4
SCHEMBL5558345 0.93 PTGS2 (0.48) PTGS2
SCHEMBL5797767 0.91 PTGS2 (0.46) PTGS2PTGS1HRH4
SCHEMBL6466305 0.89 PTGS2 (0.39) PTGS2PTGS1HRH4
SCHEMBL5558813 0.89 PTGS2 (0.53) PTGS2PTGS1HRH4
SCHEMBL5559329 0.89 PTGS2 (0.50) PTGS2PTGS1HRH4
SCHEMBL5559676 0.88 PTGS2 (0.48) PTGS2
SCHEMBL5801057 0.88 PTGS2 (0.41) PTGS2PTGS1HRH4
SCHEMBL5558908 0.87 PTGS2 (0.58) PTGS2
SCHEMBL5558913 0.87 PTGS2 (0.58) PTGS2

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