SCHEMBL7968147

SCHEMBL7968147

COC(=O)[C@@H]1OC(=O)N(C(=O)N[C@@H]2CCN(C3CCC(c4ccc(F)cc4OC)CC3)C2)[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 14/20 0.39
ADRA1B P35368 14/20 0.39
ADRA1D P25100 13/20 0.39
HRH1 P35367 1/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
MGLL Q99685 2/20 0.37
DRD2 P14416 1/20 0.36
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL8150536 1.00 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1CHRM4
SCHEMBL8155210 0.94 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1CHRM4
SCHEMBL7968185 0.94 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1CHRM4
SCHEMBL7967926 0.91 ADRA1A (0.38) ADRA1AADRA1BADRA1DHRH1MGLL
SCHEMBL7967925 0.91 ADRA1A (0.38) ADRA1AADRA1BADRA1DHRH1MGLL
SCHEMBL7955792 0.85 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7955794 0.85 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7967882 0.83 ADRA1A (0.51) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7967885 0.83 ADRA1A (0.51) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7964241 0.81 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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