SCHEMBL7965648

SCHEMBL7965648

COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CCN([C@H]3CC[C@](O)(c4ccccn4)CC3)C2)C(=O)N1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.67
ADRA1D P25100 19/20 0.67
ADRA1B P35368 19/20 0.67

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
SCHEMBL7082157 1.00 ADRA1A (0.67) ADRA1AADRA1DADRA1B
SCHEMBL7082162 1.00 ADRA1A (0.67) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7967870 0.99 ADRA1A (0.66) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7968446 0.99 ADRA1A (0.66) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7967874 0.99 ADRA1A (0.66) ADRA1AADRA1DADRA1B
SCHEMBL7079598 0.91 ADRA1D (0.54) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7081806 0.90 ADRA1D (0.54) ADRA1AADRA1DADRA1B
SCHEMBL8150750 0.89 ADRA1D (0.61) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL8150758 0.89 ADRA1D (0.60) ADRA1AADRA1DADRA1B
SCHEMBL7078214 0.88 ADRA1A (0.83) 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-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 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