SCHEMBL9028641

SCHEMBL9028641

COc1ccccc1N1CCN(CCCN(C)c2ccccc2C(=O)N(C)C)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.59
DRD3 P35462 1/20 0.55
HTR2A P28223 1/20 0.54
DRD4 P21917 1/20 0.54

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 SCHEMBL9027255 0.85
Hydrochloric Acid SCHEMBL9025955 0.83 KDM4E (0.65) DRD2HTR2A
SCHEMBL9027618 0.81
Hydrochloric Acid SCHEMBL9026749 0.80
Hydrochloric Acid SCHEMBL9028166 0.80 L3MBTL1 (0.56) DRD2DRD3HTR2ADRD4
SCHEMBL6933957 0.80 HTR1A (0.70) DRD2DRD3DRD4
SCHEMBL9028512 0.79 KDM4E (0.68) DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL8828517 0.79
SCHEMBL5655837 0.79 DRD2 (0.63) DRD2DRD3HTR2ADRD4
SCHEMBL6928363 0.78 DRD2 (0.64) DRD2DRD4

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
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed