SCHEMBL10568168

SCHEMBL10568168

C#CCN1C(=O)CCc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc21

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.56
DRD3 P35462 3/20 0.56
DRD4 P21917 2/20 0.56
ADRB2 P07550 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
ADRB1 P08588 1/20 0.56
CHRM5 P08912 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
HRH1 P35367 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL10570344 0.87 DRD2 (0.63) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL10570746 0.87 DRD2 (0.58) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL10572777 0.87
SCHEMBL11068538 0.85 CHRM2 (0.57) DRD2DRD3DRD4CHRM2CHRM4
SCHEMBL10572411 0.85 DRD2 (0.56) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL10570860 0.84 DRD2 (0.61) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL10571216 0.84 DRD2 (0.61) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL11068257 0.84 ADRB2 (0.59) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL10660200 0.84 HTR7 (0.48) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL10570239 0.83

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55162774-A None JP disclosed
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
JP-S55162774-A CARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1980-12-18 JP disclosed