SCHEMBL5820434

SCHEMBL5820434

CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4ccc(N(S)C(=O)Nc5ccccc5)cc43)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.70
ADRA1D P25100 2/20 0.70
ADRA1A P35348 2/20 0.70
ADRA1B P35368 2/20 0.70
DRD2 P14416 1/20 0.56
HTR1B P28222 1/20 0.56
DRD3 P35462 1/20 0.56

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
SCHEMBL5820432 0.86 HTR1A (0.74) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5820560 0.82 HTR1A (0.84) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5814548 0.79 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5819994 0.79 HTR1A (0.72) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5815076 0.78 HTR1A (0.84) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5899226 0.75 HTR1A (0.79) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5819138 0.75 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL5820233 0.74 HTR1A (0.81) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL9546953 0.74 HTR1A (0.75) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL13533242 0.73 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