SCHEMBL7930718

SCHEMBL7930718

CC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.76
ADRA1D P25100 13/20 0.76
ADRA1B P35368 13/20 0.76
HRH1 P35367 6/20 0.76
ADRA2A P08913 5/20 0.76
ADRA2B P18089 5/20 0.76
ADRA2C P18825 5/20 0.76

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
SCHEMBL7932393 0.87 ADRA1A (0.76) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7932947 0.86 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7930753 0.86 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7924085 0.84 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7924094 0.84 ADRA1A (0.81) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL5663966 0.82 ADRA1A (0.76) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7930748 0.81 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL5661455 0.80 ADRA1A (0.73) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7959697 0.78 ADRA1A (0.65) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7966205 0.78 ADRA1A (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235759-B1 BENIGN PROSTATIC HYPERPLASIA; HYPOTENSIVE AGENTS MERCK & CO., INC. 2001-05-22 US disclosed