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Sugi Predict / Compounds / SCHEMBL8669079

SCHEMBL8669079

SCHEMBL8669079

O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 17/20 1.00
▸ ADRA1A P35348 17/20 1.00
▸ ADRA1B P35368 17/20 1.00
▸ HTR2A P28223 1/20 0.47
▸ HTR7 P34969 1/20 0.47

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
SCHEMBL8666228 0.93 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8669077 0.91 ADRA1D (0.83) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8667733 0.90 ADRA1D (0.82) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8669617 0.86 ADRA1D (0.81) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8670877 0.86 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8670256 0.86 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8674332 0.86 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8666225 0.86 ADRA1D (0.83) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8666853 0.86 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8672669 0.85 ADRA1B (0.88) 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