SCHEMBL11064029

SCHEMBL11064029

CCCCCCN1C(=O)CCc2ccc(OCCCN3CCC(Cc4ccccc4)CC3)cc21

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.63
CHRM2 P08172 2/20 0.63
CHRM4 P08173 2/20 0.63
CHRM5 P08912 2/20 0.63
DRD2 P14416 2/20 0.63
CHRM3 P20309 2/20 0.63
DRD4 P21917 2/20 0.63
DRD3 P35462 2/20 0.63
ADRB2 P07550 1/20 0.63
ADRB1 P08588 1/20 0.63
ADRA1D P25100 1/20 0.63
ADRA1A P35348 1/20 0.63
ADRA1B P35368 1/20 0.63
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
KCNH2 Q12809 1/20 0.57
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56

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
SCHEMBL11071523 0.91 CHRM2 (0.65) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL11071115 0.88 ADRB2 (0.63) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL11095714 0.88 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL11070228 0.86 MAOB (0.62) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL11068680 0.85 ADRB2 (0.59) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL11068257 0.85 ADRB2 (0.59) CHRM1CHRM2CHRM4CHRM5DRD2
Oxalic Acid SCHEMBL11069052 0.85 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL10571216 0.84 DRD2 (0.61) CHRM1CHRM2CHRM4CHRM5DRD2
Oxalic Acid SCHEMBL11064085 0.83 MAOB (0.60) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL11063017 0.81 MAOB (0.58) CHRM1CHRM2CHRM4CHRM5DRD2

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