SCHEMBL8545875

SCHEMBL8545875

c1ccc(-c2cc(C3CCN(CCc4cccc5ccccc45)CC3)n[nH]2)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
PHF8 Q9UPP1 5/20 0.41
SIGMAR1 Q99720 3/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM2B Q8NHM5 1/20 0.39

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
SCHEMBL8549039 0.85 OPRM1 (0.42) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL8549889 0.84 SLC6A4 (0.44) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL8549897 0.83 DRD2 (0.52) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL1388548 0.83 DRD4 (0.69) DRD2DRD4DRD3
SCHEMBL8547903 0.82 MAPT (0.44) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8547895 0.82 SLC6A4 (0.45) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL8549123 0.82 DRD2 (0.42) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8549271 0.82 DRD2 (0.42) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL8550958 0.81 DRD2 (0.41) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8549443 0.81 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