SCHEMBL8674332

SCHEMBL8674332

O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 19/20 1.00
ADRA1A P35348 19/20 1.00
ADRA1B P35368 19/20 1.00

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
SCHEMBL8667504 0.93 ADRA1D (0.87) ADRA1DADRA1AADRA1B
SCHEMBL8667634 0.90 ADRA1D (0.82) ADRA1DADRA1AADRA1B
SCHEMBL8672466 0.90 ADRA1D (0.81) ADRA1DADRA1AADRA1B
SCHEMBL8666192 0.90 ADRA1D (0.81) ADRA1DADRA1AADRA1B
SCHEMBL8669617 0.89 ADRA1D (0.81) ADRA1DADRA1AADRA1B
SCHEMBL8670877 0.89 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8670256 0.89 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8666853 0.89 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8672673 0.88 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8672456 0.88 ADRA1D (0.81) ADRA1DADRA1AADRA1B

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-0755392-A4 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-05-02 EP claimed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP claimed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 WO claimed
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