SCHEMBL7965948

SCHEMBL7965948

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

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.43
ADRA1D P25100 18/20 0.43
ADRA1B P35368 18/20 0.43

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
SCHEMBL7968224 0.95 ADRA1A (0.41) ADRA1AADRA1DADRA1B
SCHEMBL7078709 0.92 ADRA1A (0.41) ADRA1AADRA1DADRA1B
SCHEMBL7077899 0.89 ADRA1A (0.42) ADRA1AADRA1DADRA1B
SCHEMBL8007845 0.84 ADRA1A (0.48) ADRA1AADRA1DADRA1B
SCHEMBL7955792 0.84 ADRA1A (0.52) ADRA1AADRA1DADRA1B
SCHEMBL7955794 0.84 ADRA1A (0.52) ADRA1AADRA1DADRA1B
SCHEMBL7967885 0.81 ADRA1A (0.51) ADRA1AADRA1DADRA1B
SCHEMBL7967882 0.81 ADRA1A (0.51) ADRA1AADRA1DADRA1B
SCHEMBL7968147 0.78 ADRA1A (0.39) ADRA1AADRA1DADRA1B
SCHEMBL8150536 0.78 ADRA1A (0.39) ADRA1AADRA1DADRA1B

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