SCHEMBL8667585

SCHEMBL8667585

COC(=O)c1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(O)O)CC3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 17/20 0.76
ADRA1A P35348 17/20 0.76
ADRA1B P35368 17/20 0.76
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
PLD1 Q13393 1/20 0.42
HSD11B1 P28845 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
SCHEMBL8666993 0.94 ADRA1D (0.87) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8667587 0.93 ADRA1D (0.88) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8672560 0.87 ADRA1D (0.82) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8666996 0.87 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8667633 0.85 ADRA1D (0.68) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8670258 0.85 ADRA1D (0.66) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8667731 0.83 ADRA1D (0.83) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8674153 0.82 ADRA1D (0.82) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8672459 0.81 ADRA1D (0.67) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8670190 0.80 ADRA1D (0.82) ADRA1DADRA1AADRA1BHTR2AHTR7

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
US-5760054-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1998-06-02 US disclosed
EP-0755392-A4 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-05-02 EP disclosed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP disclosed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 WO disclosed