SCHEMBL4438948

SCHEMBL4438948

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SCN9A Q15858 1/20 0.38
LTA4H P09960 2/20 0.36
SLC6A4 P31645 1/20 0.35
HTR2C P28335 2/20 0.35
GRM2 Q14416 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CETP P11597 1/20 0.35
PBRM1 Q86U86 1/20 0.34

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
SCHEMBL4437663 0.88 SCN9A (0.42) LMNAMAPTHTTSCN9ALTA4H
SCHEMBL4439090 0.88 SCN9A (0.42) LMNAMAPTHTTSCN9ALTA4H
SCHEMBL4439837 0.88 SCN9A (0.42) LMNAMAPTHTTSCN9ALTA4H
SCHEMBL4435472 0.88 LMNA (0.38) LMNAMAPTHTTSCN9ALTA4H
SCHEMBL4440072 0.85 LMNA (0.39) LMNAMAPTHTTSCN9ALTA4H
SCHEMBL4437635 0.82 LMNA (0.35) LMNAMAPTHTTSCN9ALTA4H
SCHEMBL4439973 0.81 PBRM1 (0.44) LMNAMAPTHTTSLC6A4HTR2C
SCHEMBL4440992 0.81 MAPT (0.38) LMNAMAPTHTTSCN9ASLC6A4
SCHEMBL4444360 0.81 LMNA (0.40) LMNAMAPTHTTSCN9AGRM2
SCHEMBL4447058 0.81 MAPT (0.36) LMNAMAPTHTTSCN9ASLC6A4

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 2 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 disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed