SCHEMBL7821704

SCHEMBL7821704

COc1ccccc1N1CCN(CCCn2c(=O)c(C(F)(F)F)cn(Cc3ccccc3)c2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.52
HTR1A P08908 2/20 0.52
ADRA1A P35348 3/20 0.52
ADRA1B P35368 3/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1D P25100 2/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
HTR6 P50406 1/20 0.49

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 SCHEMBL7830388 0.99 HTR7 (0.52) HTR7HTR1AADRA1AADRA1BSLC6A2
Hydrochloric Acid SCHEMBL7821464 0.90 ADRA1A (0.64) ADRA1AADRA1BADRA1D
SCHEMBL7830329 0.87 HTR1A (0.56) HTR7HTR1AADRA1AADRA1BSLC6A2
Hydrochloric Acid SCHEMBL7821236 0.86 HTR1A (0.55) HTR7HTR1AADRA1AADRA1BSLC6A2
SCHEMBL7822356 0.86 DRD2 (0.55) HTR7HTR1AADRA1AADRA1BSLC6A2
SCHEMBL7833750 0.85 HTR7 (0.56) HTR7HTR1AADRA1AADRA1BSLC6A2
Hydrochloric Acid SCHEMBL7821312 0.85 DRD2 (0.54) HTR7HTR1AADRA1AADRA1BSLC6A2
SCHEMBL7833964 0.84 DRD2 (0.53) HTR7HTR1AADRA1AADRA1BSLC6A2
Hydrochloric Acid SCHEMBL7835944 0.83 DRD2 (0.53) HTR7HTR1AADRA1AADRA1BSLC6A2
SCHEMBL7834372 0.82 ADRA1A (0.66) ADRA1AADRA1BADRA1D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed