SCHEMBL4789117

SCHEMBL4789117

COC(=O)CCCn1c(=O)n(-c2ccccc2)c2nc(-c3ccc(C(C)C)cc3)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 5/20 0.39
DHFR P00374 1/20 0.38
PDE4B Q07343 2/20 0.38
PDE7A Q13946 2/20 0.38
GAA P10253 1/20 0.37
P2RX3 P56373 3/20 0.37
FPR2 P25090 2/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
THRB P10828 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
SCHEMBL4788000 0.95 LMNA (0.40) TP53LMNAPOLBMAPTDHFR
SCHEMBL4787320 0.92 MAPT (0.41) TP53LMNAPOLBMAPTDHFR
SCHEMBL4788717 0.88 MAPT (0.42) TP53LMNAPOLBMAPTDHFR
SCHEMBL4786905 0.84 DHFR (0.45) TP53LMNAPOLBMAPTDHFR
SCHEMBL14021050 0.83 MAPT (0.45) TP53LMNAPOLBMAPTDHFR
SCHEMBL4788795 0.80 MAPT (0.42) TP53LMNAMAPTDHFRPDE4B
SCHEMBL4788897 0.77 DHFR (0.44) TP53LMNAPOLBMAPTDHFR
SCHEMBL4786903 0.74 CNR1 (0.43)
SCHEMBL4786029 0.73 MAPT (0.52) TP53LMNAMAPTDHFRGAA
SCHEMBL2116730 0.72 PPARA (0.48) TP53LMNAMAPTDHFRRXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO claimed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed