SCHEMBL8549123

SCHEMBL8549123

c1ccc2c(CCN3CCC(c4cc(-c5ccsc5)[nH]n4)CC3)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 2/20 0.42
SLC6A4 P31645 2/20 0.40
HTR1A P08908 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
PHF8 Q9UPP1 3/20 0.38
KDM4C Q9H3R0 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MC4R P32245 1/20 0.37

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
SCHEMBL8549889 0.85 SLC6A4 (0.44) DRD2DRD4DRD3SLC6A4HTR1A
SCHEMBL8547895 0.84 SLC6A4 (0.45) DRD2DRD4DRD3SLC6A4HTR1A
SCHEMBL8549271 0.83 DRD2 (0.42) DRD2DRD4DRD3SLC6A4HTR1A
SCHEMBL8549897 0.83 DRD2 (0.52) DRD2DRD4DRD3SLC6A4HTR1A
SCHEMBL8549443 0.82 HTR1A (0.55) DRD2DRD4DRD3SLC6A4HTR1A
SCHEMBL8550958 0.82 DRD2 (0.41) DRD2DRD4DRD3SLC6A4HTR1A
SCHEMBL8545875 0.82 DRD2 (0.49) DRD2DRD4DRD3SLC6A4HTR1A
SCHEMBL8547917 0.81 USP30 (0.41) DRD2DRD4DRD3SLC6A4HTR1A
SCHEMBL8546423 0.81 SNCA (0.42) DRD2DRD4DRD3SLC6A4HTR1A
SCHEMBL8545434 0.81 DRD2 (0.40) DRD2DRD4DRD3SLC6A4HTR1A

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