SCHEMBL7707913

SCHEMBL7707913

N#Cc1ccccc1[C@H]1CC[C@H](N2CC(CNC(=O)N3C(=O)Nc4ccccc4C3c3ccc(F)c(F)c3)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.51
ADRA1A P35348 20/20 0.51
ADRA1B P35368 20/20 0.51
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL7707909 1.00 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7702081 0.87 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7702084 0.87 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7707368 0.86 ADRA1A (0.49) ADRA1DADRA1AADRA1B
SCHEMBL7082198 0.85 ADRA1A (0.72) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7082201 0.85 ADRA1A (0.71) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7082195 0.85 ADRA1A (0.71) ADRA1DADRA1AADRA1B
SCHEMBL7707906 0.83 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7707903 0.83 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7702079 0.79 ADRA1A (0.46) ADRA1DADRA1AADRA1BADRA2AADRA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358959-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-03-19 US claimed
US-6358959-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-03-19 US disclosed