SCHEMBL7962083

SCHEMBL7962083

N#Cc1ccccc1C1(C#N)CCN(CCCNC(=O)N2C(=O)NCCC2c2ccc(F)c(F)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.66
ADRA1D P25100 14/20 0.58
ADRA1B P35368 14/20 0.58
HRH1 P35367 5/20 0.56
ADRA2A P08913 4/20 0.56
ADRA2B P18089 4/20 0.56
ADRA2C P18825 4/20 0.56

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
SCHEMBL7960507 0.91 ADRA1A (0.58) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7955656 0.88 ADRA1A (0.66) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7955653 0.88 ADRA1A (0.66) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7964640 0.88 ADRA1A (0.66) ADRA1AADRA1DADRA1BHRH1ADRA2A
Hydrochloric Acid SCHEMBL7967320 0.88 ADRA1A (0.65) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7964181 0.86 ADRA1A (0.64) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7702071 0.83 ADRA1A (0.65) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7932825 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7951821 0.77 ADRA1A (0.65) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7962592 0.77 ADRA1A (0.65) ADRA1AADRA1DADRA1BHRH1ADRA2A

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-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US claimed
US-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US disclosed