SCHEMBL8545430

SCHEMBL8545430

c1ccc(CC2COCC(c3cc(C4CCN(CCc5cccc6ccccc56)CC4)n[nH]3)O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.49
DRD2 P14416 10/20 0.49
DRD3 P35462 7/20 0.49
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
SIGMAR1 Q99720 3/20 0.35

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
SCHEMBL8917842 0.87 DRD2 (0.48) DRD4DRD2DRD3HTR1ASLC6A4
SCHEMBL8551090 0.87 DRD2 (0.48) DRD4DRD2DRD3HTR1AADRA1D
SCHEMBL8547903 0.71 MAPT (0.44) DRD4DRD2DRD3HTR1ASLC6A4
SCHEMBL8549889 0.71 SLC6A4 (0.44) DRD4DRD2DRD3HTR1ASLC6A4
SCHEMBL8545875 0.71 DRD2 (0.49) DRD4DRD2DRD3HTR1ASLC6A4
SCHEMBL8547895 0.69 SLC6A4 (0.45) DRD4DRD2DRD3HTR1ASLC6A4
SCHEMBL8304291 0.69 SIGMAR1 (0.46) DRD4HTR1ASLC6A4ADRA1DADRA1A
SCHEMBL8546423 0.69 SNCA (0.42) DRD4DRD2DRD3HTR1ASLC6A4
SCHEMBL8549897 0.69 DRD2 (0.52) DRD4DRD2DRD3HTR1ASLC6A4
SCHEMBL8549271 0.69 DRD2 (0.42) DRD4DRD2DRD3HTR1ASLC6A4

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 4 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 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