SCHEMBL11068680

SCHEMBL11068680

C=CCN1C(=O)CCc2ccc(OCCCN3CCC(Cc4ccccc4)CC3)cc21

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM4 P08173 1/20 0.59
ADRB1 P08588 1/20 0.59
CHRM5 P08912 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD2 P14416 1/20 0.59
CHRM3 P20309 1/20 0.59
DRD4 P21917 1/20 0.59
ADRA1D P25100 1/20 0.59
ADRA1A P35348 1/20 0.59
ADRA1B P35368 1/20 0.59
DRD3 P35462 1/20 0.59
MAOB P27338 2/20 0.57
MAOA P21397 1/20 0.57
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL11071115 0.89 ADRB2 (0.63) ADRB2CHRM2CHRM4ADRB1CHRM5
SCHEMBL11071523 0.87 CHRM2 (0.65) ADRB2CHRM2CHRM4ADRB1CHRM5
SCHEMBL11068257 0.86 ADRB2 (0.59) ADRB2CHRM2CHRM4ADRB1CHRM5
SCHEMBL11070228 0.85 MAOB (0.62) ADRB2CHRM2CHRM4ADRB1CHRM5
SCHEMBL11064029 0.85 CHRM1 (0.63) ADRB2CHRM2CHRM4ADRB1CHRM5
SCHEMBL11063070 0.84 MAOB (0.55) ADRB2CHRM2CHRM4ADRB1CHRM5
SCHEMBL10572411 0.84 DRD2 (0.56) ADRB2CHRM2CHRM4ADRB1CHRM5
Oxalic Acid SCHEMBL11064085 0.82 MAOB (0.60) ADRB2CHRM2CHRM4ADRB1CHRM5
SCHEMBL11063017 0.81 MAOB (0.58) ADRB2CHRM2CHRM4ADRB1CHRM5
SCHEMBL11070246 0.81 DRD4 (0.55) ADRB2CHRM2CHRM4ADRB1CHRM5

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