SCHEMBL4805358

SCHEMBL4805358

Cn1cc(OC(=O)Nc2ccccc2-c2cccc(SC(F)(F)F)c2)c(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.39
RXFP1 Q9HBX9 2/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TACR1 P25103 1/20 0.35

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
SCHEMBL3034001 0.90 CHRM3 (0.39) CHRM3NPC1ALDH1A1KDM4ELMNA
SCHEMBL4794346 0.88 RXFP1 (0.37) CHRM3RXFP1ALDH1A1KDM4ELMNA
SCHEMBL3045842 0.87 CHRM3 (0.48) CHRM3
SCHEMBL5141372 0.87 CHRM3 (0.51) CHRM3NPC1ALDH1A1MAPTTACR1
SCHEMBL3034453 0.86 CHRM3 (0.48) CHRM3LMNAMAPT
SCHEMBL5087439 0.84 CHRM3 (0.50) CHRM3
SCHEMBL4797560 0.83 CA12 (0.39) CHRM3ALDH1A1LMNAHTT
SCHEMBL3034363 0.83 CHRM3 (0.47) CHRM3NPC1
SCHEMBL4846696 0.83 TACR1 (0.46) CHRM3NPC1ALDH1A1TACR1
SCHEMBL3150885 0.82 CHRM3 (0.48) CHRM3NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008053044-A2 HETARYL CARBON ACID-N-(BIPHEN-2-YL)AMIDE COMPOUNDS BASF SE (DE) 2008-05-08 WO claimed