SCHEMBL7686416

SCHEMBL7686416

COCC1=C(C(=O)O)C(c2ccc(F)c(F)c2)CC(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 14/20 0.42
ADRA1D P25100 13/20 0.42
ADRA1B P35368 13/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HRH1 P35367 1/20 0.42
GPBAR1 Q8TDU6 3/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL7669646 1.00 ADRA1A (0.42) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6686591 0.82 ADRA1A (0.50) ADRA1AADRA1DADRA1B
SCHEMBL7638902 0.82 ADRA1A (0.50) ADRA1AADRA1DADRA1B
SCHEMBL5661329 0.80 ADRA1A (0.52) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL8004288 0.80 ADRA1A (0.52) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7928701 0.80 ADRA1A (0.52) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL5662048 0.78 ADRA1A (0.51) ADRA1AADRA1DADRA1B
SCHEMBL7082388 0.74 CTDSP1 (0.58) ADRA1AADRA1DADRA1B
SCHEMBL6645152 0.74 CTDSP1 (0.58) ADRA1AADRA1DADRA1B
SCHEMBL7082385 0.74 CTDSP1 (0.58) ADRA1AADRA1DADRA1B

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-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US claimed