SCHEMBL7966161

SCHEMBL7966161

O=C(Oc1ccc([N+](=O)[O-])cc1)N1C(=O)OC(C2CC2)C1c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.43
FAAH O00519 5/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL8173301 1.00 MGLL (0.43) MGLLFAAHCYP1A2CYP2D6ALDH1A1
SCHEMBL8174001 0.85 ADRA1A (0.42) MGLLFAAHCYP1A2CYP2D6
SCHEMBL5662288 0.85 ADRA1A (0.42) MGLLFAAHCYP1A2CYP2D6
SCHEMBL5658840 0.85 ADRA1A (0.42) MGLLFAAHCYP1A2CYP2D6
SCHEMBL7995847 0.82 MGLL (0.39) MGLL
SCHEMBL7747880 0.82 MGLL (0.39) MGLL
SCHEMBL7747876 0.82 MGLL (0.39) MGLL
SCHEMBL7972575 0.81 MGLL (0.39) MGLLFAAHCYP1A2CYP2D6
SCHEMBL5661991 0.79 MGLL (0.42) MGLLFAAHCYP1A2CYP2D6
SCHEMBL5663686 0.79 MGLL (0.42) MGLLFAAHCYP1A2CYP2D6

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-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US 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