SCHEMBL7934218

SCHEMBL7934218

CC1=C(C(=O)NCCNC2CCC(c3ccccc3C#N)CC2)[C@H](c2ccc(F)c(F)c2)CC(=O)N1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.77
ADRA1D P25100 13/20 0.77
ADRA1B P35368 13/20 0.77
HRH1 P35367 7/20 0.65
ADRA2A P08913 6/20 0.65
ADRA2B P18089 6/20 0.65
ADRA2C P18825 6/20 0.65

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
SCHEMBL7932384 1.00 ADRA1A (0.77) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7924085 0.87 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7930739 0.85 ADRA1A (0.80) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7930748 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7932825 0.76 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7924083 0.74 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7932947 0.72 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7930753 0.72 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7924062 0.71 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7930718 0.71 ADRA1A (0.76) 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-6235759-B1 BENIGN PROSTATIC HYPERPLASIA; HYPOTENSIVE AGENTS MERCK & CO., INC. 2001-05-22 US claimed
US-6235759-B1 BENIGN PROSTATIC HYPERPLASIA; HYPOTENSIVE AGENTS MERCK & CO., INC. 2001-05-22 US disclosed