SCHEMBL8548112

SCHEMBL8548112

Brc1cccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.59
DRD2 P14416 12/20 0.59
DRD3 P35462 9/20 0.59
PRCP P42785 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KCNH2 Q12809 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL8547895 0.85 SLC6A4 (0.45) DRD4DRD2DRD3
SCHEMBL8547716 0.85 DRD2 (0.56) DRD4DRD2DRD3PRCPHTR2A
SCHEMBL8547614 0.83 SIGMAR1 (0.55) DRD4DRD2DRD3PRCPMEN1
SCHEMBL1388360 0.83 DRD4 (0.70) DRD4DRD2DRD3PRCPMEN1
SCHEMBL1388548 0.79 DRD4 (0.69) DRD4DRD2DRD3PRCP
SCHEMBL1388551 0.78 DRD4 (0.70) DRD4DRD2DRD3HTR2A
SCHEMBL1388650 0.77 DRD4 (0.71) DRD4DRD2DRD3PRCPMEN1
SCHEMBL8547063 0.73 DRD4 (0.57) DRD4DRD2DRD3KCNH2
SCHEMBL8592270 0.73 DRD2 (0.55) DRD4DRD2DRD3
SCHEMBL8549889 0.72 SLC6A4 (0.44) DRD4DRD2DRD3

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