SCHEMBL7965725

SCHEMBL7965725

COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N2CCC(CNC3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.64
ADRA1A P35348 20/20 0.64
ADRA1B P35368 20/20 0.64

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
SCHEMBL7967658 0.96 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL8138809 0.90 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL7955134 0.86 ADRA1D (0.64) ADRA1DADRA1AADRA1B
SCHEMBL7716008 0.85 ADRA1A (0.72) ADRA1DADRA1AADRA1B
SCHEMBL7714971 0.85 ADRA1A (0.72) ADRA1DADRA1AADRA1B
SCHEMBL7840480 0.83 ADRA1D (0.69) ADRA1DADRA1AADRA1B
SCHEMBL7715939 0.83 ADRA1A (0.69) ADRA1DADRA1AADRA1B
SCHEMBL7715942 0.83 ADRA1A (0.69) ADRA1DADRA1AADRA1B
SCHEMBL8005150 0.82 ADRA1D (0.73) ADRA1DADRA1AADRA1B
SCHEMBL7850242 0.82 ADRA1D (0.71) 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-6214832-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-04-10 US disclosed