SCHEMBL7976298

SCHEMBL7976298

O=C(O)N1C(=O)O[C@@H](COC2CCCCO2)[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.38
ADRA1B P35368 4/20 0.38
ADRA1D P25100 3/20 0.38
HRH1 P35367 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKAG1 P54619 3/20 0.33
PRKAA1 Q13131 3/20 0.33
PRKAB1 Q9Y478 3/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
IDO1 P14902 1/20 0.32
P2RX3 P56373 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM5 P41594 1/20 0.31
HCRTR2 O43614 2/20 0.31

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
SCHEMBL7976303 1.00 ADRA1A (0.38) ADRA1AADRA1BADRA1DHRH1MEN1
SCHEMBL6953243 0.83 MGLL (0.38) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7972617 0.79 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1HCRTR2
SCHEMBL7083166 0.78 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1IDO1
SCHEMBL7083169 0.78 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1IDO1
SCHEMBL7075810 0.78 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1IDO1
SCHEMBL6961269 0.75 GRM5 (0.43) MEN1KMT2AIDO1P2RX3L3MBTL1
SCHEMBL7843744 0.75 GRM5 (0.43) MEN1KMT2AIDO1P2RX3L3MBTL1
SCHEMBL6961064 0.71 ADRA1A (0.41) ADRA1AADRA1BADRA1DHRH1USP5
SCHEMBL6961998 0.71 ADRA1A (0.41) ADRA1AADRA1BADRA1DHRH1USP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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