SCHEMBL6961064

SCHEMBL6961064

O=C(O)N1C(=O)OC(C2CC2)C1c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.41
ADRA1B P35368 5/20 0.41
ADRA1D P25100 4/20 0.41
HRH1 P35367 2/20 0.41
USP5 P45974 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTR7 P34969 1/20 0.33
TSHR P16473 1/20 0.33
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
USP30 Q70CQ3 1/20 0.31
KDM1A O60341 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
FFAR2 O15552 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
SCHEMBL6961998 1.00 ADRA1A (0.41) ADRA1AADRA1BADRA1DHRH1USP5
SCHEMBL6959819 0.80 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1HTR7
SCHEMBL7095750 0.80 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1HTR7
SCHEMBL6082094 0.80 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1HTR7
SCHEMBL7075810 0.79 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1USP5
SCHEMBL7083169 0.79 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1USP5
SCHEMBL7083166 0.79 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1USP5
SCHEMBL8173301 0.77 MGLL (0.43)
SCHEMBL7966161 0.77 MGLL (0.43)
SCHEMBL8172549 0.75 EPHX1 (0.43) ADRA1AADRA1BADRA1DHRH1HTR7

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 9 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
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US 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
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed