SCHEMBL9308663

SCHEMBL9308663

Cn1c(=O)n(C)c2cc(COc3cccc(COCC4CCOCC4)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.48
CYP2D6 P10635 2/20 0.41
TRIM24 O15164 2/20 0.41
USP1 O94782 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
PRKDC P78527 1/20 0.38
SLC2A1 P11166 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL9308523 0.85 ALOX5 (0.62) ALOX5CYP2D6
SCHEMBL9309603 0.81 ALOX5 (0.60) ALOX5CYP2D6
SCHEMBL9307970 0.79 CYP11B1 (0.42) CYP2D6
SCHEMBL9308680 0.79 ALOX5 (0.52) ALOX5CYP2D6PRKDC
SCHEMBL9390739 0.78 ALOX5 (0.48) ALOX5TRIM24PRKDC
SCHEMBL9308712 0.76 ALOX5 (0.43) ALOX5CYP2D6SLC2A1
SCHEMBL8953851 0.75 SLC2A1 (0.43) CYP2D6CNR1CNR2SLC2A1MAOB
SCHEMBL9308141 0.74 ALOX5 (0.47) ALOX5CYP2D6USP1
SCHEMBL9309282 0.71 ALOX5 (0.48) ALOX5CYP2D6PRKDC
SCHEMBL13097002 0.69 MAOB (0.47) CYP2D6CNR1CNR2MAOB

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
US-5354865-A Enzyme inhibitor and inhibiting the leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-10-11 US disclosed