SCHEMBL7967925

SCHEMBL7967925

COC(=O)[C@@H]1OC(=O)N(C(=O)N[C@@H]2CCN(C3CCC(c4ccc(F)cc4OCC(F)(F)F)CC3)C2)[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 17/20 0.38
ADRA1B P35368 17/20 0.38
ADRA1D P25100 16/20 0.38
HRH1 P35367 1/20 0.38
DRD2 P14416 5/20 0.37
MGLL Q99685 1/20 0.37
SSTR1 P30872 1/20 0.35
SSTR4 P31391 1/20 0.35
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 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
SCHEMBL7967926 1.00 ADRA1A (0.38) ADRA1AADRA1BADRA1DHRH1DRD2
SCHEMBL8150536 0.91 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1DRD2
SCHEMBL7968147 0.91 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1DRD2
SCHEMBL7968185 0.85 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1DRD2
SCHEMBL8155210 0.85 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1DRD2
SCHEMBL7967882 0.82 ADRA1A (0.51) ADRA1AADRA1BADRA1DHRH1KCNH2
SCHEMBL7967885 0.82 ADRA1A (0.51) ADRA1AADRA1BADRA1DHRH1KCNH2
SCHEMBL7955792 0.81 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7955794 0.81 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7130811 0.78 ADRA1A (0.34) ADRA1AADRA1BADRA1DHRH1SSTR4

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