SCHEMBL5800355

SCHEMBL5800355

Cc1c(C(C)C(=O)NCCO)c2c(F)c(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.36
TRPV1 Q8NER1 4/20 0.36
PTGS1 P23219 2/20 0.35
POLB P06746 1/20 0.35
CXCL8 P10145 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 1/20 0.33
CYP2B6 P20813 1/20 0.33

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
SCHEMBL5559520 0.93 TRPV1 (0.37) TRPV1POLBCNR1CNR2CYP2B6
SCHEMBL5559519 0.93 TRPV1 (0.37) TRPV1POLBCNR1CNR2CYP2B6
SCHEMBL5558889 0.91 CCKBR (0.38) TRPV1POLB
SCHEMBL5558899 0.91 CCKBR (0.38) TRPV1POLB
SCHEMBL5559003 0.90 EGLN1 (0.37) PTGS2TRPV1PTGS1POLBCNR1
SCHEMBL5559007 0.90 EGLN1 (0.37) PTGS2TRPV1PTGS1POLBCNR1
SCHEMBL5559001 0.90 EGLN1 (0.37) PTGS2TRPV1PTGS1POLBCNR1
SCHEMBL5800286 0.90 TRPV1 (0.36) PTGS2TRPV1PTGS1POLBCXCL8
SCHEMBL5800356 0.89 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5560445 0.88 POLB (0.37) PTGS2TRPV1POLBCNR1CNR2

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