SCHEMBL8672158

SCHEMBL8672158

Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3cc(S(C)(=O)=O)ccc3S2(O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 17/20 0.64
ADRA1A P35348 17/20 0.64
ADRA1B P35368 17/20 0.64
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL8672160 0.91 ADRA1D (0.77) ADRA1DADRA1AADRA1BCHRM2CHRM4
SCHEMBL8666190 0.88 ADRA1D (0.67) ADRA1DADRA1AADRA1B
SCHEMBL8672486 0.87 ADRA1D (0.69) ADRA1DADRA1AADRA1BCHRM2CHRM4
SCHEMBL8674153 0.87 ADRA1D (0.82) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8670649 0.87 ADRA1D (0.69) ADRA1DADRA1AADRA1BCHRM2CHRM4
SCHEMBL8670876 0.86 ADRA1D (0.82) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8667580 0.85 ADRA1D (0.63) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8672669 0.82 ADRA1B (0.88) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8672560 0.80 ADRA1D (0.82) ADRA1DADRA1AADRA1BCHRM2CHRM4
SCHEMBL8666192 0.79 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