SCHEMBL7683296

SCHEMBL7683296

CC(=O)OC(C1=C(C)N(C)C(=O)N(C(C)=O)C1c1ccc(F)c(F)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 18/20 0.44
ADRA1A P35348 18/20 0.44
ADRA1B P35368 18/20 0.44
TSHR P16473 1/20 0.32

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
SCHEMBL7665732 0.92 ADRA1D (0.46) ADRA1DADRA1AADRA1BTSHR
SCHEMBL7668994 0.90 ADRA1D (0.41) ADRA1DADRA1AADRA1BTSHR
SCHEMBL7660469 0.78 ADRA1A (0.55) ADRA1DADRA1AADRA1BTSHR
SCHEMBL7683294 0.72 ADRA1D (0.44) ADRA1DADRA1AADRA1B
SCHEMBL7662361 0.68 ADRA1A (0.58) ADRA1DADRA1AADRA1BTSHR
SCHEMBL7658023 0.67 ADRA1A (0.53) ADRA1DADRA1AADRA1BTSHR
SCHEMBL7664087 0.67 ADRA1A (0.53) ADRA1DADRA1AADRA1BTSHR
SCHEMBL7660010 0.67 ADRA1A (0.53) ADRA1DADRA1AADRA1BTSHR
SCHEMBL7665729 0.64 ADRA1D (0.47) ADRA1DADRA1AADRA1B
SCHEMBL7662035 0.63 ADRA1D (0.42) 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 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