SCHEMBL4440992

SCHEMBL4440992

O=[N+]([O-])C=C1N[C@@H](c2cccc(C(F)(F)F)c2)CN1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN9A Q15858 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SERPINE1 P05121 1/20 0.33
GRM2 Q14416 1/20 0.33
ENPP2 Q13822 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PBRM1 Q86U86 1/20 0.32
FBP1 P09467 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL4439837 0.84 SCN9A (0.42) MAPTHTTLMNASCN9AMEN1
SCHEMBL4439090 0.84 SCN9A (0.42) MAPTHTTLMNASCN9AMEN1
SCHEMBL4437663 0.84 SCN9A (0.42) MAPTHTTLMNASCN9AMEN1
SCHEMBL4435472 0.81 LMNA (0.38) MAPTHTTLMNASCN9AMEN1
SCHEMBL4438948 0.81 LMNA (0.38) MAPTHTTLMNASCN9AMEN1
SCHEMBL3597342 0.80 HTT (0.36) MAPTHTTLMNAL3MBTL1SCN9A
SCHEMBL3597341 0.80 HTT (0.36) MAPTHTTLMNAL3MBTL1SCN9A
SCHEMBL3597344 0.80 HTT (0.36) MAPTHTTLMNAL3MBTL1SCN9A
SCHEMBL4440072 0.79 LMNA (0.39) MAPTHTTLMNASCN9AMEN1
SCHEMBL4439973 0.77 PBRM1 (0.44) MAPTHTTLMNAMEN1KMT2A

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