SCHEMBL4440975

SCHEMBL4440975

Cc1c[nH]c(=O)c(C[C@@H]2OC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cc(F)cc(F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
FADS1 O60427 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
CCR1 P32246 1/20 0.31
CCR2 P41597 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13167962 0.81 FADS1 (0.38) MDM2TP53FADS1CNR1CNR2
SCHEMBL3580371 0.78 TRPM4 (0.37) MDM2FADS1CNR1CNR2MAPKAPK2
SCHEMBL3593156 0.76 HPGD (0.34) MDM2TP53MAPTFADS1HPGD
SCHEMBL14899252 0.76 FADS1 (0.36) MDM2FADS1CNR1CNR2SMN1; SMN2
SCHEMBL3587420 0.74 ALDH1A1 (0.35) MDM2TP53MAPTFADS1
SCHEMBL3587518 0.74 FADS1 (0.36) MDM2FADS1CNR1CNR2
SCHEMBL3598426 0.73 MAOA (0.39) CCR1CCR2
SCHEMBL3592419 0.73 ALDH1A1 (0.34) MDM2FADS1MAPKAPK2
SCHEMBL3599941 0.72 MAPT (0.39) MDM2MAPTMAPKAPK2SMN1; SMN2
SCHEMBL15182326 0.71 LMNA (0.34) FADS1CNR1CNR2MAPKAPK2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed