SCHEMBL7702045

SCHEMBL7702045

CCCN(C(=O)N1C(=O)Nc2ccccc2C1c1ccc(F)c(F)c1)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.40
ADRA1B P35368 18/20 0.40
ADRA1D P25100 17/20 0.40
HRH1 P35367 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR7 P34969 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
SCHEMBL7702064 0.80 ADRA1A (0.47) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7702046 0.75 ADRA1A (0.67) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7707903 0.67 ADRA1D (0.47) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7707906 0.67 ADRA1D (0.47) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7707365 0.67 ADRA1A (0.46) ADRA1AADRA1BADRA1D
SCHEMBL7707363 0.67 ADRA1A (0.46) ADRA1AADRA1BADRA1D
SCHEMBL7702079 0.66 ADRA1A (0.46) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7702078 0.66 ADRA1A (0.46) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL8164652 0.64 ADRA1A (0.42) ADRA1AADRA1BADRA1DHRH1
SCHEMBL6992964 0.58 HTR7 (0.72) ADRA1AHTR7

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