SCHEMBL7546592

SCHEMBL7546592

Cc1ccc(-c2cn3c(c2-c2ccccc2)CCC3)c(S)c1.c1ccc(CC2=NCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.46
ALOX5 P09917 6/20 0.43
PTGS1 P23219 6/20 0.43
WDR5 P61964 1/20 0.31
MAPT P10636 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL6487506 0.85 PTGS2 (0.57) PTGS2ALOX5PTGS1WDR5MAPT
SCHEMBL6477173 0.74 PTGS2 (0.59) PTGS2ALOX5PTGS1
SCHEMBL697719 0.67 TAAR1 (0.44) MAPT
SCHEMBL7493792 0.64 PTGS2 (0.33) PTGS2ALOX5PTGS1
SCHEMBL6477263 0.62 PTGS2 (0.71) PTGS2ALOX5PTGS1WDR5
SCHEMBL6476564 0.62 PTGS2 (0.68) PTGS2ALOX5PTGS1
SCHEMBL6291354 0.62 PTGS2 (0.68) PTGS2ALOX5PTGS1
SCHEMBL6484222 0.60 PTGS2 (1.00) PTGS2ALOX5PTGS1
SCHEMBL10629178 0.60 ESR2 (0.48) ALOX5MAPT
SCHEMBL9458601 0.59 PTGS2 (0.57) PTGS2ALOX5PTGS1MAPT

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-1246825-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2002-10-09 EP disclosed
WO-2001051491-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2001-07-19 WO disclosed