SCHEMBL7955802

SCHEMBL7955802

COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CCN([C@H]3CC[C@H](c4ccccc4OC)CC3)C2)C(=O)N1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.69
ADRA1D P25100 18/20 0.69
ADRA1B P35368 18/20 0.69
MCHR1 Q99705 1/20 0.49

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
SCHEMBL7075961 1.00 ADRA1A (0.69) ADRA1AADRA1DADRA1BMCHR1
SCHEMBL7162689 1.00 ADRA1A (0.69) ADRA1AADRA1DADRA1BMCHR1
SCHEMBL7075958 1.00 ADRA1A (0.69) ADRA1AADRA1DADRA1BMCHR1
SCHEMBL7079830 1.00 ADRA1A (0.69) ADRA1AADRA1DADRA1BMCHR1
Hydrochloric Acid SCHEMBL7081420 0.99 ADRA1A (0.68) ADRA1AADRA1DADRA1BMCHR1
Hydrochloric Acid SCHEMBL7076911 0.99 ADRA1A (0.68) ADRA1AADRA1DADRA1BMCHR1
SCHEMBL7966364 0.95 ADRA1A (0.67) ADRA1AADRA1DADRA1BMCHR1
SCHEMBL7966363 0.95 ADRA1A (0.67) ADRA1AADRA1DADRA1BMCHR1
SCHEMBL7163560 0.94 ADRA1A (0.62) ADRA1AADRA1DADRA1BMCHR1
SCHEMBL7966193 0.94 ADRA1A (0.62) ADRA1AADRA1DADRA1BMCHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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