SCHEMBL7972568

SCHEMBL7972568

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.41
ABCC9 O60706 2/20 0.33
KCNJ11 Q14654 2/20 0.33
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
CYP2D6 P10635 1/20 0.33
IDO1 P14902 3/20 0.32
TDO2 P48775 2/20 0.32
DAO P14920 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
SCHEMBL8165987 1.00 GRM5 (0.41) GRM5ABCC9KCNJ11CHRNB2ADRA2C
SCHEMBL7840974 0.82 GRM5 (0.43) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL6963296 0.82 GRM5 (0.43) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL2836304 0.82 GRM5 (0.43) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL7872587 0.80 GRM5 (0.39) GRM5
SCHEMBL14587413 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL5662057 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL7655571 0.77 GRM5 (0.45) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL7658515 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 1 patent. 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