SCHEMBL7964244

SCHEMBL7964244

N#Cc1cc(F)ccc1[C@H]1CC[C@H](N2CC[C@@H](NC(=O)N3C(=O)O[C@@H](C(N)=O)[C@@H]3c3ccc(F)c(F)c3)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.40
ADRA1B P35368 17/20 0.40
ADRA1D P25100 16/20 0.40
HRH1 P35367 5/20 0.40
ADRA2A P08913 4/20 0.40
ADRA2B P18089 4/20 0.40
ADRA2C P18825 4/20 0.40

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
SCHEMBL7964241 1.00 ADRA1A (0.40) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL8148048 0.89 ADRA1A (0.47) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7965600 0.89 ADRA1A (0.47) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL8155210 0.88 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7968185 0.88 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1
SCHEMBL8142736 0.87 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7967553 0.87 ADRA1A (0.39) ADRA1AADRA1BADRA1DHRH1
SCHEMBL8008414 0.85 ADRA1A (0.45) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7955792 0.84 ADRA1A (0.52) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7955794 0.84 ADRA1A (0.52) 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