SCHEMBL11066548

SCHEMBL11066548

CN1C(=O)CCc2c(OCCCN3CCC(Cc4ccccc4)CC3)cccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TMEM97 Q5BJF2 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
ADRB2 P07550 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
ADRB1 P08588 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
DRD2 P14416 1/20 0.55
CHRM3 P20309 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
DRD3 P35462 1/20 0.55
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 2/20 0.54
SLC6A2 P23975 2/20 0.53

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
Hydrochloric Acid SCHEMBL11063081 0.99 DRD4 (0.59) DRD4MEN1KMT2ATMEM97SIGMAR1
SCHEMBL11070974 0.89 HRH3 (0.53) DRD4MEN1KMT2ASIGMAR1ADRB2
SCHEMBL11064799 0.87 TMEM97 (0.53) DRD4MEN1KMT2ATMEM97SIGMAR1
SCHEMBL11066898 0.86 DRD2 (0.53) DRD4MEN1KMT2ASIGMAR1CHRM2
SCHEMBL11070246 0.85 DRD4 (0.55) DRD4MEN1KMT2ATMEM97SIGMAR1
SCHEMBL11064440 0.85 DRD4 (0.55) DRD4MEN1KMT2ATMEM97SIGMAR1
SCHEMBL11067861 0.85 DRD4 (0.62) DRD4MEN1KMT2AADRB2CHRM2
SCHEMBL11073897 0.84 ABCB1 (0.62) DRD4MEN1KMT2AADRB2ADRB1
Hydrochloric Acid SCHEMBL11066728 0.84 MEN1 (0.54) DRD4MEN1KMT2ATMEM97SIGMAR1
SCHEMBL11091742 0.83 DRD4 (0.59) DRD4MEN1KMT2ATMEM97SIGMAR1

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