SCHEMBL8550207

SCHEMBL8550207

COc1ccc(CCN2CCC(c3cc(-c4cccnc4)[nH]n3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.56
DRD4 P21917 3/20 0.56
SIGMAR1 Q99720 2/20 0.47
DRD3 P35462 1/20 0.46
GSK3B P49841 2/20 0.43
SMPD1 P17405 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL8592270 0.91 DRD2 (0.55) DRD2DRD4SIGMAR1DRD3HRH3
SCHEMBL8547063 0.86 DRD4 (0.57) DRD2DRD4SIGMAR1DRD3GSK3B
SCHEMBL8590734 0.84 DRD2 (0.51) DRD2DRD4SIGMAR1HRH3HTR1A
SCHEMBL8546176 0.80 POLB (0.47) DRD2DRD4DRD3GSK3BHTR1A
SCHEMBL8549897 0.77 DRD2 (0.52) DRD2DRD4SIGMAR1DRD3GSK3B
SCHEMBL8548881 0.77 DRD2 (0.46) DRD2DRD4DRD3GSK3BHTR1A
SCHEMBL8545455 0.76 DRD2 (0.50) DRD2DRD4DRD3HTR1A
SCHEMBL8548381 0.75 DRD2 (0.49) DRD2DRD4DRD3GSK3BHTR1A
SCHEMBL8549443 0.75 HTR1A (0.55) DRD2DRD4SIGMAR1DRD3HTR1A
SCHEMBL1388576 0.74 DRD2 (0.56) DRD2DRD4SIGMAR1DRD3

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