SCHEMBL8828753

SCHEMBL8828753

CCN(CC)C(=O)c1ccccc1NCCCN1CCN(c2ccccc2OC)CC1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
DRD2 P14416 1/20 0.57
DRD3 P35462 1/20 0.57

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
SCHEMBL9027618 0.90
Hydrochloric Acid SCHEMBL9026749 0.89
SCHEMBL8828464 0.89 DRD2 (0.57) DRD2
SCHEMBL8828767 0.88 ADRA1D (0.73) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9027560 0.87 ADRA1D (0.72) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9026537 0.86 HTR1A (0.63) ADRA1DADRA1AADRA1BDRD2
SCHEMBL11446717 0.86 HTR1A (0.75) DRD2DRD3
SCHEMBL6928363 0.84 DRD2 (0.64) DRD2
SCHEMBL8828762 0.82 DRD2 (0.58) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL6933599 0.81 DRD2 (0.69) ADRA1DADRA1AADRA1BDRD2

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-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed
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