SCHEMBL11064799

SCHEMBL11064799

CN1C(=O)CCc2c1ccc(OCCCN1CCC(Cc3ccccc3)CC1)c2Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
DRD4 P21917 2/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
ADRB1 P08588 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
CHRM3 P20309 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD3 P35462 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL11066548 0.87 DRD4 (0.60) TMEM97SIGMAR1DRD4MEN1KMT2A
Hydrochloric Acid SCHEMBL11063081 0.87 DRD4 (0.59) TMEM97SIGMAR1DRD4MEN1KMT2A
SCHEMBL10568720 0.77 HTR1A (0.48) TMEM97SIGMAR1DRD4ADRB2CHRM2
SCHEMBL11070228 0.77 MAOB (0.62) TMEM97SIGMAR1DRD4ADRB2CHRM2
SCHEMBL11070974 0.77 HRH3 (0.53) SIGMAR1DRD4MEN1KMT2AADRB2
SCHEMBL11073566 0.76 MAOA (0.54) TMEM97SIGMAR1DRD4MEN1KMT2A
SCHEMBL11091742 0.75 DRD4 (0.59) TMEM97SIGMAR1DRD4MEN1KMT2A
SCHEMBL11065434 0.75 TMEM97 (0.52) TMEM97SIGMAR1DRD4MEN1KMT2A
Oxalic Acid SCHEMBL11064085 0.74 MAOB (0.60) TMEM97SIGMAR1DRD4MEN1KMT2A
SCHEMBL11064440 0.73 DRD4 (0.55) TMEM97SIGMAR1DRD4MEN1KMT2A

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