SCHEMBL8666192

SCHEMBL8666192

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

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.81
ADRA1A P35348 20/20 0.81
ADRA1B P35368 19/20 0.81

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
SCHEMBL8666190 0.91 ADRA1D (0.67) ADRA1DADRA1AADRA1B
SCHEMBL8672466 0.90 ADRA1D (0.81) ADRA1DADRA1AADRA1B
SCHEMBL8674332 0.90 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8672489 0.89 ADRA1D (0.83) ADRA1DADRA1AADRA1B
SCHEMBL8674154 0.89 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8670651 0.89 ADRA1D (0.83) ADRA1DADRA1AADRA1B
SCHEMBL8670877 0.88 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8672160 0.88 ADRA1D (0.77) ADRA1DADRA1AADRA1B
SCHEMBL8667733 0.87 ADRA1D (0.82) ADRA1DADRA1AADRA1B
SCHEMBL8667583 0.87 ADRA1D (0.75) 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 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