SCHEMBL8550958

SCHEMBL8550958

N#Cc1ccc(-c2cc(C3CCN(CCc4cccc5ccccc45)CC3)n[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 1/20 0.41
PHF8 Q9UPP1 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KCNH2 Q12809 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
HTR6 P50406 1/20 0.39
MCHR1 Q99705 2/20 0.38
USP30 Q70CQ3 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL8547917 0.92 USP30 (0.41) DRD2DRD4DRD3PHF8HTR1A
SCHEMBL8549889 0.87 SLC6A4 (0.44) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8549443 0.85 HTR1A (0.55) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8549271 0.84 DRD2 (0.42) DRD2DRD4DRD3PHF8HTR1A
SCHEMBL8547895 0.83 SLC6A4 (0.45) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8546423 0.83 SNCA (0.42) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8549123 0.82 DRD2 (0.42) DRD2DRD4DRD3PHF8HTR1A
SCHEMBL8549897 0.82 DRD2 (0.52) DRD2DRD4DRD3PHF8HTR1A
SCHEMBL8550715 0.82 HTR1A (0.47) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8545434 0.82 DRD2 (0.40) DRD2DRD4DRD3HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822814-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-12-09 EP claimed
EP-0822814-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-02-11 EP claimed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 WO claimed
EP-0822814-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-12-09 EP disclosed
EP-0822814-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-02-11 EP disclosed
US-5668148-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1997-09-16 US disclosed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 WO disclosed