SCHEMBL8549039

SCHEMBL8549039

c1cnc2ccc(-c3cc(C4CCN(CCc5cccc6ccccc56)CC4)n[nH]3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
FLT3 P36888 1/20 0.40
DRD2 P14416 7/20 0.40
DRD4 P21917 5/20 0.40
DRD3 P35462 3/20 0.40
HTR1A P08908 2/20 0.39
SLC6A4 P31645 1/20 0.39
PHF8 Q9UPP1 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
KDM4C Q9H3R0 1/20 0.38
DRD1 P21728 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 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 0.89 SLC6A4 (0.44) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8545875 0.85 DRD2 (0.49) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8549271 0.84 DRD2 (0.42) OPRM1OPRK1DRD2DRD4DRD3
SCHEMBL8549897 0.84 DRD2 (0.52) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8547895 0.83 SLC6A4 (0.45) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8546423 0.83 SNCA (0.42) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8545434 0.82 DRD2 (0.40) FLT3DRD2DRD4DRD3HTR1A
SCHEMBL8550715 0.82 HTR1A (0.47) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8550958 0.82 DRD2 (0.41) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8549443 0.82 HTR1A (0.55) 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