SCHEMBL4437635

SCHEMBL4437635

N#CN=C1N[C@@H](c2cccc(C(F)(F)F)c2)CN1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SCN9A Q15858 1/20 0.35
AR P10275 1/20 0.34
CFTR P13569 1/20 0.33
SLC6A4 P31645 2/20 0.33
ELANE P08246 1/20 0.33
CYP2C9 P11712 1/20 0.33
LTA4H P09960 1/20 0.32
NTSR1 P30989 1/20 0.32
CETP P11597 1/20 0.32
KMT2A Q03164 2/20 0.32
GRM2 Q14416 1/20 0.32
MEN1 O00255 1/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL4440072 0.88 LMNA (0.39) LMNAMAPTHTTSCN9ACFTR
SCHEMBL4447058 0.84 MAPT (0.36) LMNAMAPTHTTSCN9ACFTR
SCHEMBL4444360 0.84 LMNA (0.40) LMNAMAPTHTTSCN9ACFTR
SCHEMBL4437663 0.83 SCN9A (0.42) LMNAMAPTHTTSCN9ASLC6A4
SCHEMBL4439837 0.83 SCN9A (0.42) LMNAMAPTHTTSCN9ASLC6A4
SCHEMBL4439090 0.83 SCN9A (0.42) LMNAMAPTHTTSCN9ASLC6A4
SCHEMBL4438948 0.82 LMNA (0.38) LMNAMAPTHTTSCN9ASLC6A4
SCHEMBL4435472 0.82 LMNA (0.38) LMNAMAPTHTTSCN9ASLC6A4
SCHEMBL3597977 0.81 CETP (0.38) LMNAMAPTHTTSCN9AAR
SCHEMBL3597981 0.81 CETP (0.38) LMNAMAPTHTTSCN9AAR

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