SCHEMBL5822979

SCHEMBL5822979

CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)C3CNc4cc([AsH2])ccc43)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
DRD2 P14416 1/20 0.59
HTR1B P28222 1/20 0.59
DRD3 P35462 1/20 0.59

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
SCHEMBL5807695 0.90 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5805757 0.87 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5806578 0.84 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5806913 0.82 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5806924 0.79 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL9423266 0.78 HTR1A (0.75) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5803650 0.77 MEN1 (0.49) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL9546939 0.76 HTR1A (0.67) HTR1AADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL9547030 0.75 HTR1A (0.66) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL13533242 0.75 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BDRD2

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
WO-2006088954-A1 DIHYDROINDOLYL METHANONES AS ALPHA 1A/1D ADRENORECEPTOR MODULATORS FOR THE TREATMENT OF BENIGN PROSTATIC HYPERTROPHY AND LOWER URINARY TRACT SYMPTOMS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-24 WO disclosed