SCHEMBL8667580

SCHEMBL8667580

CCOc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4cc(C)ccc43)CC1)S2(O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 17/20 0.63
ADRA1A P35348 17/20 0.63
ADRA1B P35368 17/20 0.63
MET P08581 2/20 0.39
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
SCHEMBL8670649 0.92 ADRA1D (0.69) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8667583 0.92 ADRA1D (0.75) ADRA1DADRA1AADRA1B
SCHEMBL8667687 0.91 ADRA1D (0.70) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8666190 0.87 ADRA1D (0.67) ADRA1DADRA1AADRA1B
SCHEMBL8672486 0.87 ADRA1D (0.69) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8674153 0.86 ADRA1D (0.82) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8670876 0.85 ADRA1D (0.82) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8672158 0.85 ADRA1D (0.64) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8670651 0.83 ADRA1D (0.83) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8667690 0.83 ADRA1D (0.85) 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 1 patent. 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