SCHEMBL19288286

SCHEMBL19288286

FC(F)(F)SOC1=CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A2 P23975 1/20 0.36
DRD3 P35462 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KCNH2 Q12809 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 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
SCHEMBL521041 0.81 DRD2 (0.36) SIGMAR1DRD2DRD4SLC6A2DRD3
SCHEMBL17354971 0.80 KMT2A (0.35) SIGMAR1DRD2DRD4SLC6A2DRD3
SCHEMBL3648918 0.75 RECQL (0.38) SIGMAR1CHRM2CHRM4CHRM5L3MBTL1
SCHEMBL1513406 0.72 SLC6A2 (0.49) SIGMAR1SLC6A2CHRM2CHRM4CHRM5
SCHEMBL1334034 0.71 BCHE (0.44) DRD2DRD4DRD3CHRM2CHRM5
SCHEMBL1631113 0.70 SMN1; SMN2 (0.39) KMT2AOPRK1
SCHEMBL1206554 0.69 SIGMAR1 (0.51) SIGMAR1DRD2DRD4SLC6A2DRD3
SCHEMBL1335697 0.69 SLC6A2 (0.39) SIGMAR1DRD2DRD4SLC6A2DRD3
SCHEMBL24581714 0.69 SIGMAR1 (0.39) SIGMAR1DRD2DRD4DRD3CHRM2
SCHEMBL9911016 0.68 SLC6A2 (0.42) SIGMAR1DRD2DRD4SLC6A2DRD3

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
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP disclosed