SCHEMBL3043533

SCHEMBL3043533

Cn1cc(OC(=O)Nc2ccccc2-c2ccc(F)cc2F)c(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.48
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.38
P2RY1 P47900 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 4/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NTRK1 P04629 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3041242 0.92 CHRM3 (0.40) CHRM3LMNARAB9ANPSR1NR3C1
SCHEMBL3024592 0.91 CHRM3 (0.44) CHRM3LMNAGAARAB9ANPSR1
SCHEMBL4848046 0.90 CHRM3 (0.48) CHRM3LMNAGAAKDM4ERAB9A
SCHEMBL4563652 0.90 CHRM3 (0.46) CHRM3LMNAGAARAB9ANPSR1
SCHEMBL4835285 0.89 LMNA (0.39) CHRM3LMNAGAAKDM4ERAB9A
SCHEMBL4563290 0.87 CHRM3 (0.40) CHRM3LMNAGAA
SCHEMBL3045842 0.86 CHRM3 (0.48) CHRM3
SCHEMBL3034363 0.86 CHRM3 (0.47) CHRM3RAB9ANTRK1
SCHEMBL3036503 0.86 CHRM3 (0.38) CHRM3LMNANTRK1
SCHEMBL1128031 0.85 CHRM3 (0.40) CHRM3RAB9ANTRK1

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