SCHEMBL7702078

SCHEMBL7702078

CN(C(=O)N1C(=O)Nc2ccccc2C1c1ccc(F)c(F)c1)C1(O)CN(C2CCC(c3ccccc3C#N)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.46
ADRA1D P25100 19/20 0.46
ADRA1B P35368 19/20 0.46
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL7702079 1.00 ADRA1A (0.46) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7707903 0.88 ADRA1D (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7707906 0.88 ADRA1D (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7702081 0.83 ADRA1D (0.51) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7702084 0.83 ADRA1D (0.51) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7707909 0.79 ADRA1D (0.51) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7707913 0.79 ADRA1D (0.51) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7996249 0.74 ADRA1D (0.66) ADRA1AADRA1DADRA1B
SCHEMBL7707363 0.73 ADRA1A (0.46) ADRA1AADRA1DADRA1B
SCHEMBL7707365 0.73 ADRA1A (0.46) 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 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