SCHEMBL7660469

SCHEMBL7660469

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 18/20 0.55
ADRA1D P25100 17/20 0.55
ADRA1B P35368 17/20 0.55
HTR7 P34969 1/20 0.39
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7662361 0.87 ADRA1A (0.58) ADRA1AADRA1DADRA1BHTR7LMNA
SCHEMBL7664087 0.86 ADRA1A (0.53) ADRA1AADRA1DADRA1BHTR7LMNA
SCHEMBL7660010 0.86 ADRA1A (0.53) ADRA1AADRA1DADRA1BHTR7LMNA
SCHEMBL7658023 0.86 ADRA1A (0.53) ADRA1AADRA1DADRA1BHTR7LMNA
SCHEMBL7683296 0.78 ADRA1D (0.44) ADRA1AADRA1DADRA1BTSHR
SCHEMBL7683294 0.75 ADRA1D (0.44) ADRA1AADRA1DADRA1B
SCHEMBL7656196 0.73 ADRA1A (0.57) ADRA1AADRA1DADRA1BLMNA
SCHEMBL7667964 0.73 ADRA1A (0.57) ADRA1AADRA1DADRA1BLMNA
SCHEMBL7667781 0.73 ADRA1A (0.57) ADRA1AADRA1DADRA1BLMNA
SCHEMBL7930713 0.72 ADRA1A (0.55) ADRA1AADRA1DADRA1BHTR7LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO claimed
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