SCHEMBL3036773

SCHEMBL3036773

Cn1cc(OC(=O)Nc2cc(F)ccc2-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.43
CHRM2 P08172 3/20 0.42
CHRM1 P11229 3/20 0.42
RAB9A P51151 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1039642 0.93 CHRM3 (0.51) CHRM3CHRM2CHRM1NR3C1PGR
SCHEMBL3150885 0.89 CHRM3 (0.48) CHRM3LMNAMAPTNPSR1SMN1; SMN2
SCHEMBL1077648 0.86 CHRM3 (0.50) CHRM3CHRM2CHRM1LMNAMAPT
SCHEMBL1019145 0.85 CHRM3 (0.43) CHRM3CHRM2CHRM1
SCHEMBL29445431 0.84 LMNA (0.53) CHRM3LMNANPSR1SMN1; SMN2POLB
SCHEMBL1402183 0.84 LMNA (0.53) CHRM3LMNANPSR1SMN1; SMN2POLB
SCHEMBL5624615 0.82 CHRM3 (0.41) CHRM3LMNAMAPTNPSR1SMN1; SMN2
SCHEMBL5341146 0.82 CHRM3 (0.47) CHRM3CHRM2CHRM1MAPTNPSR1
SCHEMBL4835285 0.82 LMNA (0.39) CHRM3CHRM2CHRM1RAB9ANR3C1
SCHEMBL1039851 0.80 CHRM3 (0.43) CHRM3RAB9ANR3C1PGRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234488-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
EP-2235005-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
EP-2224812-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-09-08 EP disclosed
WO-2009077500-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
WO-2009077497-A2 AZOLYL METHYL OXIRANES, THE USE THEREOF, AND AGENTS CONTAINING THEM BASF SE (DE) 2009-06-25 WO disclosed
WO-2009077443-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
WO-2009077471-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed