SCHEMBL7683294

SCHEMBL7683294

CC(=O)N1C(=O)N(C)C(C)=C(CC(=O)OCc2ccccc2)C1c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.44
ADRA1A P35348 5/20 0.44
ADRA1B P35368 5/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPBAR1 Q8TDU6 6/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE1C Q14123 1/20 0.36
ADORA2B P29275 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL7665729 0.91 ADRA1D (0.47) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7662035 0.90 ADRA1D (0.42) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7932447 0.79 GPBAR1 (0.56) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7924014 0.72 GPBAR1 (0.55) ADRA1DADRA1AADRA1BGPBAR1ALDH1A1
SCHEMBL6197304 0.67 PDE1C (0.50) ADRA1DADRA1AADRA1BPDE1C
SCHEMBL7662361 0.66 ADRA1A (0.58) ADRA1DADRA1AADRA1B
SCHEMBL7664087 0.65 ADRA1A (0.53) ADRA1DADRA1AADRA1B
SCHEMBL7660010 0.65 ADRA1A (0.53) ADRA1DADRA1AADRA1B
SCHEMBL7665732 0.65 ADRA1D (0.46) ADRA1DADRA1AADRA1B
SCHEMBL6196607 0.64 ADRA1D (0.49) ADRA1DADRA1AADRA1BPDE1C

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-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US disclosed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO disclosed