SCHEMBL11064147

SCHEMBL11064147

C=CCN1C(=O)CCc2c(OCC(CN3CCC(Cc4ccccc4)CC3)OC(=O)C(=O)OC(COc3cccc4c3CCC(=O)N4CC=C)CN3CCC(Cc4ccccc4)CC3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.46
ABCB1 P08183 4/20 0.46
DRD2 P14416 2/20 0.43
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
KMT2A Q03164 3/20 0.40

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
SCHEMBL11071631 0.90 DRD4 (0.49) DRD4ABCB1DRD2ADRB2ADRB1
SCHEMBL11067634 0.90 DRD4 (0.51) DRD4ABCB1DRD2ADRB2ADRB1
SCHEMBL11068716 0.89 SLC18A3 (0.42) DRD4ABCB1DRD2ADRB2ADRB1
SCHEMBL11066890 0.89 ABCB1 (0.57) DRD4ABCB1DRD2ADRB2ADRB1
Oxalic Acid SCHEMBL11064628 0.88 ABCB1 (0.57) DRD4ABCB1DRD2ADRB2ADRB1
SCHEMBL11060483 0.86 DRD4 (0.51) DRD4ABCB1DRD2ADRB2ADRB1
SCHEMBL11070246 0.82 DRD4 (0.55) DRD4DRD2ADRB2ADRB1ALDH1A1
SCHEMBL11066891 0.79 ABCB1 (0.61) DRD4ABCB1DRD2ADRB2ADRB1
SCHEMBL11065039 0.79 DRD4 (0.60) DRD4ABCB1DRD2ADRB2ADRB1
Oxalic Acid SCHEMBL11067627 0.78 ABCB1 (0.61) DRD4ABCB1DRD2ADRB2ADRB1

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
US-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed