SCHEMBL11065731

SCHEMBL11065731

C#CCN1C(=O)CCc2ccc(OCC(O)CN3CCC(Cc4ccccc4)CC3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.58
GAA P10253 1/20 0.55
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
ABCB1 P08183 4/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
DRD2 P14416 2/20 0.48
ATM Q13315 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
ADRB1 P08588 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL11066226 0.90 DRD4 (0.62) DRD4GAAPOLBTSHRKMT2A
SCHEMBL11064740 0.88 PRMT5 (0.47) DRD4GAADRD2CHRM2CHRM4
SCHEMBL11069003 0.86 DRD4 (0.62) DRD4GAAPOLBTSHRABCB1
SCHEMBL11068257 0.85 ADRB2 (0.59) DRD4DRD2ADRB2CHRM2CHRM4
SCHEMBL11065197 0.80 DRD4 (0.52) DRD4DRD2ADRB2CHRM2CHRM4
SCHEMBL11068145 0.79 KCNH2 (0.49)
SCHEMBL11071360 0.78 MAOA (0.69) DRD4GAAPOLBTSHRABCB1
SCHEMBL11069966 0.77 DRD4 (0.63) DRD4GAAPOLBTSHRABCB1
SCHEMBL10578077 0.76 HTR7 (0.63) KMT2A
SCHEMBL10660200 0.75 HTR7 (0.48) DRD4KMT2ADRD2ADRB2CHRM2

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