SCHEMBL10445152

SCHEMBL10445152

CCCCCc1cc(-c2ccccc2)c2n1CCC2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 1/20 0.36
PTGS1 P23219 2/20 0.35
ALOX5 P09917 2/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL9458661 0.99 CYP2D6 (0.39) CYP2D6CNR1CNR2HRH3HSD11B1
SCHEMBL6475630 0.75 ALOX5 (0.45) PTGS1ALOX5MEN1KMT2A
SCHEMBL9537195 0.73 PTGS2 (0.49) HRH3HSD11B1PTGS1ALOX5PTGS2
SCHEMBL9458748 0.68 ALOX5 (0.46) PTGS1ALOX5
SCHEMBL9458649 0.68 PTGES (0.44) PTGS1ALOX5PTGS2
SCHEMBL9472243 0.68 PTGS2 (0.49) HRH3PTGS1ALOX5PTGS2
SCHEMBL11211021 0.65 HRH3 (0.58) CYP2D6CNR2HRH3HSD11B1
SCHEMBL5672731 0.62 SOAT1 (0.54)
SCHEMBL1026184 0.62 PPARA (0.53) HSD11B1
SCHEMBL5555116 0.62 GCGR (0.50) CNR1HSD11B1

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
EP-0397175-A1 Substituted pyrrolizine compounds and theit use as pharmaceuticals Dannhardt, Gerd, Prof.Dr. (DE) 1990-11-14 EP disclosed