SCHEMBL7972617

SCHEMBL7972617

COC[C@@H]1OC(=O)N(C(=O)O)[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.39
ADRA1B P35368 9/20 0.39
ADRA1D P25100 8/20 0.39
HRH1 P35367 1/20 0.39
ATM Q13315 1/20 0.34
HTR7 P34969 1/20 0.31
FFAR2 O15552 1/20 0.31
EDNRB P24530 1/20 0.31
HCRTR2 O43614 1/20 0.31
KDM4E B2RXH2 1/20 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
SCHEMBL7083169 0.86 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1ATM
SCHEMBL7083166 0.86 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1ATM
SCHEMBL7075810 0.86 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1ATM
SCHEMBL6082094 0.80 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1ATM
SCHEMBL6959819 0.80 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1ATM
SCHEMBL7095750 0.80 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1ATM
SCHEMBL7976303 0.79 ADRA1A (0.38) ADRA1AADRA1BADRA1DHRH1HCRTR2
SCHEMBL7976298 0.79 ADRA1A (0.38) ADRA1AADRA1BADRA1DHRH1HCRTR2
SCHEMBL7972575 0.79 MGLL (0.39)
SCHEMBL7874288 0.76 CYP19A1 (0.37) ADRA1AADRA1BADRA1DHRH1KDM4E

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 claimed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 US disclosed