SCHEMBL6955993

SCHEMBL6955993

N#Cc1ccc(C2(O)CCC([C@]3(NC(=O)N4C(=O)OC[C@@H]4c4ccc(F)c(F)c4)CCNC3)CC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.32
SLC6A9 P48067 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1B P35368 1/20 0.31
FASN P49327 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
SCHEMBL6956488 0.92 ADRA1A (0.32) ADRA1AADRA1DADRA1B
SCHEMBL6956980 0.85 ADRA1D (0.31) ADRA1ASLC6A9ADRA1DADRA1B
Hydrochloric Acid SCHEMBL6960279 0.85 ADRA1D (0.31) ADRA1AADRA1DADRA1B
SCHEMBL6960687 0.84 ADRA1A (0.35) ADRA1ASLC6A9ADRA1DADRA1B
SCHEMBL6965561 0.83 ADRA1A (0.41) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL6966183 0.83 ADRA1A (0.35) ADRA1ASLC6A9ADRA1DADRA1B
SCHEMBL6958679 0.82 ADRA1A (0.39) ADRA1AADRA1DADRA1B
SCHEMBL6961569 0.79 QPCT (0.34) ADRA1AADRA1DADRA1B
SCHEMBL6956404 0.79 QPCT (0.34) ADRA1AADRA1DADRA1B
SCHEMBL6964803 0.78 ADRA1A (0.40) ADRA1ASLC6A9ADRA1DADRA1B

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