SCHEMBL4440072

SCHEMBL4440072

ON=C1NC(c2cccc(C(F)(F)F)c2)CN1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SCN9A Q15858 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
CETP P11597 1/20 0.35
NTSR1 P30989 1/20 0.35
GRIN2B Q13224 1/20 0.34
GUSB P08236 1/20 0.34
LTA4H P09960 1/20 0.34
SLC6A4 P31645 1/20 0.34
CFTR P13569 1/20 0.34
PPARG P37231 2/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL4444360 0.88 LMNA (0.40) LMNAMAPTHTTSCN9AKMT2A
SCHEMBL4437635 0.88 LMNA (0.35) LMNAMAPTHTTSCN9AKMT2A
SCHEMBL4447058 0.86 MAPT (0.36) LMNAMAPTHTTSCN9AKMT2A
SCHEMBL4439090 0.86 SCN9A (0.42) LMNAMAPTHTTSCN9AKMT2A
SCHEMBL4437663 0.86 SCN9A (0.42) LMNAMAPTHTTSCN9AKMT2A
SCHEMBL4439837 0.86 SCN9A (0.42) LMNAMAPTHTTSCN9AKMT2A
SCHEMBL4435472 0.85 LMNA (0.38) LMNAMAPTHTTSCN9AKMT2A
SCHEMBL4438948 0.85 LMNA (0.38) LMNAMAPTHTTSCN9AKMT2A
SCHEMBL4444087 0.79 KMT2A (0.38) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4436766 0.79 KMT2A (0.38) LMNAMAPTHTTKMT2AMEN1

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