SCHEMBL8552681

SCHEMBL8552681

c1ccc2c(CCN3CCC(c4cc(-c5ccc6c(c5)OCCO6)on4)CC3)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
SCD5 Q86SK9 8/20 0.41
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
SCD O00767 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACHE P22303 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL8550592 0.92 SCD5 (0.43) SCD5NPC1RAB9ALMNASCD
SCHEMBL8547387 0.86 HTR1A (0.42) DRD2DRD4DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL8551657 0.85 HTR1A (0.41) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8545434 0.83 DRD2 (0.40) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL7815594 0.81 SLC6A4 (0.46) DRD2HTR1ASLC6A4ADRA1DADRA1A
SCHEMBL8546423 0.78 SNCA (0.42) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL7814691 0.72 SIGMAR1 (0.43) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL7817070 0.72 HTR1A (0.59) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8545428 0.69 ADRA1D (0.39) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8917850 0.69 HTR1A (0.40) 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