SCHEMBL7707906

SCHEMBL7707906

CN(C(=O)N1C(=O)Nc2ccccc2C1c1ccc(F)c(F)c1)C1CN([C@H]2CC[C@H](c3ccccc3C#N)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 18/20 0.47
ADRA1A P35348 18/20 0.47
ADRA1B P35368 18/20 0.47
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HRH1 P35367 1/20 0.36
CCRL2 O00421 1/20 0.35
CCR2 P41597 1/20 0.35
KCNH2 Q12809 1/20 0.35
PROKR1 Q8TCW9 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
SCHEMBL7707903 1.00 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7702078 0.88 ADRA1A (0.46) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7702079 0.88 ADRA1A (0.46) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7707363 0.85 ADRA1A (0.46) ADRA1DADRA1AADRA1BCCRL2CCR2
SCHEMBL7707365 0.85 ADRA1A (0.46) ADRA1DADRA1AADRA1BCCRL2CCR2
Hydrochloric Acid SCHEMBL7082192 0.84 ADRA1D (0.68) ADRA1DADRA1AADRA1B
SCHEMBL7707909 0.83 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7707913 0.83 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7702081 0.79 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7702084 0.79 ADRA1D (0.51) 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