SCHEMBL4697249

SCHEMBL4697249

COc1cc(CN2C(=O)CCc3cc(OC)ccc32)cc(N2CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.49
HTR6 P50406 1/20 0.48
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
CHRM1 P11229 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL4464670 0.90 POLB (0.51) ADRB1HTR6CHRM1DRD2DRD4
SCHEMBL3324240 0.81 HTR6 (0.60) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL4493695 0.80 HDAC1 (0.54) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL4480619 0.80 POLB (0.49) ADRB1HTR6CHRM1DRD2DRD4
SCHEMBL29173745 0.79 CMA1 (0.54)
SCHEMBL4475770 0.79 DRD2 (0.55) ADRB1CHRM1DRD2DRD4DRD3
SCHEMBL4483596 0.77 POLB (0.53) ADRB1HTR6CHRM1DRD2DRD4
SCHEMBL4477885 0.75 L3MBTL1 (0.52) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL4490934 0.75 POLB (0.46) ADRB1HTR6CHRM1DRD2DRD4
SCHEMBL4486014 0.75 POLB (0.57) ADRB1HTR6CHRM1DRD2DRD4

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-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP claimed