SCHEMBL8063243

SCHEMBL8063243

N#CC1(c2ccccc2)CCC(NC2CCN(C(=O)N3C(=O)OCC3c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 19/20 0.44
ADRA1A P35348 19/20 0.44
ADRA1B P35368 19/20 0.44
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH1 P35367 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL6965725 0.88 ADRA1D (0.44) ADRA1DADRA1AADRA1B
SCHEMBL8138891 0.77 ADRA1D (0.42) ADRA1DADRA1AADRA1BHRH1
Hydrochloric Acid SCHEMBL8018795 0.76 ADRA1A (0.47) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7217049 0.74 ADRA1D (0.51) ADRA1DADRA1AADRA1BHRH1
SCHEMBL7954991 0.73 ADRA1D (0.39) ADRA1DADRA1AADRA1B
SCHEMBL7954985 0.73 ADRA1D (0.39) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL8014302 0.72 ADRA1A (0.46) ADRA1DADRA1AADRA1BHRH1ADRA2A
Trifluoroacetic Acid SCHEMBL7967514 0.72 ADRA1D (0.38) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7141675 0.71 ADRA1A (0.55) ADRA1DADRA1AADRA1BHRH1ADRA2A
SCHEMBL7968309 0.71 ADRA1D (0.40) ADRA1DADRA1AADRA1B

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-6080760-A TREATING BENIGN PROSTATIC HYPERPLASIA; COMPLEMENT SLOWER-ACTING THERAPEUTICS BY PROVIDING ACUTE RELIEF; INDUCE RELAXATION OF THE LOWER URINARY TRACT TO DECREASE DIFFICULTY IN URINATION AND SEXUAL DYSFUNCTION MERCK & CO., INC. (US) 2000-06-27 US disclosed