SCHEMBL10569528

SCHEMBL10569528

O=C1CCc2cccc(OCCCN3CCN(C(=O)c4ccccc4)CC3)c2N1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.50
DRD2 P14416 8/20 0.48
HTR2A P28223 4/20 0.48
SIGMAR1 Q99720 1/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 4/20 0.46
DRD4 P21917 2/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
SLC29A1 Q99808 1/20 0.44

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
SCHEMBL10570006 0.84 KCNA5 (0.50) KCNA5DRD2HTR2ASIGMAR1HRH2
Hydrochloric Acid SCHEMBL10570958 0.83 KCNA5 (0.49) KCNA5DRD2HTR2ASIGMAR1HRH2
SCHEMBL11066899 0.81 HTR7 (0.50) DRD2HTR2ASIGMAR1HRH1DRD3
SCHEMBL11071804 0.80 HTR7 (0.53) DRD2DRD3DRD4
SCHEMBL10572638 0.80 DRD2 (0.63) DRD2HTR2ADRD3DRD4MAOA
SCHEMBL11064023 0.80 DRD2 (0.51) DRD2SIGMAR1DRD3DRD4MAOA
SCHEMBL10570804 0.79 DRD2 (0.73) DRD2HTR2ADRD3DRD4MAOA
SCHEMBL11063139 0.79 DRD3 (0.47) DRD2DRD3DRD4
SCHEMBL11071104 0.78 MAOA (0.61) DRD2SIGMAR1DRD3DRD4MAOA
SCHEMBL10570573 0.78 DRD2 (0.69) DRD2HTR2ADRD3DRD4MEN1

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-4824840-A ANTIHISTAMINES, NERVOUS SYSTEM CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-25 US disclosed
US-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed