SCHEMBL5820685

SCHEMBL5820685

CC(C)Oc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCc4ccc(NS(=O)(=O)c5c(F)cccc5F)cc43)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.55
ADRA1A P35348 3/20 0.55
ADRA1B P35368 3/20 0.55
HTR1A P08908 2/20 0.55
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 2/20 0.42
HTR1B P28222 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5820590 0.92 MEN1 (0.55) ADRA1DADRA1AADRA1BHTR1AMEN1
SCHEMBL5820519 0.88 HTR1A (0.54) ADRA1DADRA1AADRA1BHTR1AMEN1
SCHEMBL5814914 0.84 HTR1A (0.75) ADRA1DADRA1AADRA1BHTR1AMEN1
SCHEMBL5899207 0.84 HTR1A (0.62) ADRA1DADRA1AADRA1BHTR1AMEN1
SCHEMBL5899201 0.76 MEN1 (0.63) ADRA1DADRA1AADRA1BHTR1AMEN1
SCHEMBL9540927 0.74 HTR1A (0.70) ADRA1DADRA1AADRA1BHTR1AMEN1
Hydrochloric Acid SCHEMBL7648536 0.73 HTR1A (0.69) ADRA1DADRA1AADRA1BHTR1AMEN1
SCHEMBL5819994 0.73 HTR1A (0.72) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL5813989 0.73 ALDH1A1 (0.50) MEN1KMT2ADRD2ALDH1A1LMNA
SCHEMBL5820432 0.72 HTR1A (0.74) ADRA1DADRA1AADRA1BHTR1ADRD2

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