SCHEMBL7130811

SCHEMBL7130811

COC(=O)[C@@H]1OC(=O)N(C(=O)N(C2CCC(c3ccc(F)cc3OCC(F)(F)F)CC2)[C@@H]2CCNC2)[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.34
ADRA1B P35368 6/20 0.34
ADRA1D P25100 5/20 0.34
HRH1 P35367 1/20 0.34
CNR2 P34972 8/20 0.31
AKT1 P31749 2/20 0.31
SSTR4 P31391 1/20 0.30

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
SCHEMBL7130813 1.00 ADRA1A (0.34) ADRA1AADRA1BADRA1DHRH1CNR2
SCHEMBL7159167 0.92 ADRA1A (0.34) ADRA1AADRA1BADRA1DHRH1AKT1
SCHEMBL7133092 0.82 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1AKT1
SCHEMBL7133088 0.82 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1AKT1
SCHEMBL7133095 0.82 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1AKT1
SCHEMBL7967925 0.78 ADRA1A (0.38) ADRA1AADRA1BADRA1DHRH1SSTR4
SCHEMBL7967926 0.78 ADRA1A (0.38) ADRA1AADRA1BADRA1DHRH1SSTR4
SCHEMBL6965577 0.78 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1AKT1
SCHEMBL6954879 0.76 ADRA1A (0.35) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7968147 0.68 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP claimed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP claimed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO claimed
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed