SCHEMBL8668303

SCHEMBL8668303

CCOC(=O)c1cccc2c1oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 17/20 0.68
ADRA1A P35348 17/20 0.68
ADRA1B P35368 17/20 0.68
HSD17B10 Q99714 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
SCHEMBL8668301 0.92 ADRA1D (0.57) ADRA1DADRA1AADRA1BHSD17B10
SCHEMBL8674329 0.81 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8666853 0.80 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8667587 0.79 ADRA1D (0.88) ADRA1DADRA1AADRA1B
SCHEMBL8666996 0.79 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8674154 0.78 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8672562 0.78 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8669938 0.77 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8669051 0.76 ADRA1D (0.78) ADRA1DADRA1AADRA1B
SCHEMBL8666147 0.76 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