SCHEMBL7967553

SCHEMBL7967553

NC(=O)[C@@H]1OC(=O)N(C(=O)N[C@@H]2CCN(C3CCC(c4ccccc4F)CC3)C2)[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 18/20 0.39
ADRA1B P35368 18/20 0.39
ADRA1D P25100 17/20 0.39
HRH1 P35367 1/20 0.37
DRD2 P14416 1/20 0.32

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
SCHEMBL8142736 1.00 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1DRD2
SCHEMBL7965600 0.90 ADRA1A (0.47) ADRA1AADRA1BADRA1DHRH1
SCHEMBL8148048 0.90 ADRA1A (0.47) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7964244 0.87 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7964241 0.87 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7968185 0.86 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1DRD2
SCHEMBL8155210 0.86 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1DRD2
SCHEMBL7955792 0.83 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7955794 0.83 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1
SCHEMBL8008414 0.83 ADRA1A (0.45) 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