SCHEMBL6963296

SCHEMBL6963296

O=C1N[C@@H](c2ccc(F)c(F)c2)[C@H](CO)O1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.43
CHRNB2 P17787 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
DAO P14920 1/20 0.33
PGR P06401 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
IDO1 P14902 3/20 0.32
TDO2 P48775 2/20 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
SCHEMBL7840974 1.00 GRM5 (0.43) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL2836304 0.85 GRM5 (0.43) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL8165987 0.82 GRM5 (0.41) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL7972568 0.82 GRM5 (0.41) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL13167960 0.80 GRM5 (0.41) GRM5
SCHEMBL7655571 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL5662057 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL7658515 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL14587413 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL14587411 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3

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 7 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 disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 US disclosed
US-6143750-A NITROGEN HETEROCYCLIC COMPOUNDS AS ENZYME INHIBITORS, FOR PROSTATE PROBLEMS AND MUSCLE RELAXANTS MERCK & CO., INC. (US) 2000-11-07 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