SCHEMBL7930739

SCHEMBL7930739

CC1=C(C(=O)NCCNC2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.80
ADRA1D P25100 13/20 0.80
ADRA1B P35368 13/20 0.80
ADRA2A P08913 7/20 0.67
ADRA2B P18089 7/20 0.67
ADRA2C P18825 7/20 0.67
HRH1 P35367 7/20 0.67

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
SCHEMBL7924083 0.89 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7934218 0.85 ADRA1A (0.77) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7932384 0.85 ADRA1A (0.77) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7930738 0.80 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7923884 0.77 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7924085 0.76 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7932392 0.73 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7932823 0.73 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7932388 0.73 ADRA1A (0.54) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7932393 0.72 ADRA1A (0.76) ADRA1AADRA1DADRA1BADRA2AADRA2B

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