SCHEMBL9537195

SCHEMBL9537195

CCCCCc1c(-c2ccccc2)cn2c1CCC2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.49
PTGS1 P23219 4/20 0.49
ALOX5 P09917 5/20 0.47
GCGR P47871 2/20 0.41
HSD11B1 P28845 1/20 0.39
WDR5 P61964 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL9472243 0.78 PTGS2 (0.49) PTGS2PTGS1ALOX5WDR5ALDH1A1
SCHEMBL10445152 0.73 CYP2D6 (0.37) PTGS2PTGS1ALOX5HSD11B1HRH3
SCHEMBL9458661 0.72 CYP2D6 (0.39) PTGS2PTGS1HSD11B1HRH3
SCHEMBL5555116 0.69 GCGR (0.50) GCGRHSD11B1
SCHEMBL6546895 0.68 GCGR (0.47) GCGRHSD11B1
Toluene SCHEMBL27833736 0.65 GCGR (0.43) GCGRHSD11B1
SCHEMBL1024527 0.64 PDCD1 (0.47) PTGS2ALOX5GCGRHSD11B1
SCHEMBL15536291 0.63 PSMB5 (0.43) GCGRHSD11B1
SCHEMBL4630089 0.63 GCGR (0.44) GCGRHSD11B1
SCHEMBL1921651 0.63 PPARA (0.49) GCGR

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-0397175-B1 Substituted pyrrolizine compounds and theit use as pharmaceuticals DANNHARDT GERD PROF DR (DE) 1993-12-08 EP disclosed
EP-0397175-A1 Substituted pyrrolizine compounds and theit use as pharmaceuticals Dannhardt, Gerd, Prof.Dr. (DE) 1990-11-14 EP disclosed