SCHEMBL11062872

SCHEMBL11062872

O=C1CCc2cc(OCCCN3CCC(c4ccccc4)CC3)ccc2N1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.66
DRD2 P14416 5/20 0.65
HTR1A P08908 2/20 0.65
HTR2A P28223 2/20 0.65
HTR2C P28335 2/20 0.65
SLC6A4 P31645 2/20 0.65
HTR7 P34969 2/20 0.65
DRD3 P35462 2/20 0.65
DRD4 P21917 1/20 0.65
MAOA P21397 11/20 0.63
MAOB P27338 11/20 0.63

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
SCHEMBL11066640 0.92 MAOA (0.71) DRD2MAOAMAOB
Hydrochloric Acid SCHEMBL11068783 0.91 MAOA (0.70) DRD2MAOAMAOB
SCHEMBL11060298 0.90 SLC2A1 (0.65) KDM1ADRD2HTR1AHTR2AHTR2C
SCHEMBL30964249 0.89 MAOA (0.75) DRD2MAOAMAOB
SCHEMBL11070765 0.88 MAOA (0.56) KDM1ADRD2HTR1AHTR2AHTR2C
SCHEMBL23097665 0.86 DRD2 (0.63) DRD2HTR1AHTR2AHTR2CSLC6A4
SCHEMBL11067221 0.86 MAOB (0.79) KDM1ADRD2HTR1AHTR2AHTR2C
SCHEMBL11064423 0.84 MAOA (0.56) KDM1ADRD2HTR1AHTR2AHTR2C
SCHEMBL10571545 0.84 MAOA (0.86) DRD2HTR1AHTR2AHTR2CSLC6A4
SCHEMBL23097595 0.84 DRD2 (0.81) DRD2HTR1AHTR2AHTR2CSLC6A4

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