SCHEMBL7078488

SCHEMBL7078488

COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NC2CN(C3CCC(c4ccccn4)CC3)C2)C(=O)N1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.81
ADRA1D P25100 18/20 0.81
ADRA1B P35368 18/20 0.81

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
Hydrochloric Acid SCHEMBL7078486 0.99 ADRA1A (0.81) ADRA1AADRA1DADRA1B
SCHEMBL8156712 0.95 ADRA1A (0.83) ADRA1AADRA1DADRA1B
SCHEMBL7078214 0.95 ADRA1A (0.83) ADRA1AADRA1DADRA1B
SCHEMBL7078113 0.95 ADRA1A (0.83) ADRA1AADRA1DADRA1B
SCHEMBL7078107 0.95 ADRA1A (0.83) ADRA1AADRA1DADRA1B
SCHEMBL7967692 0.90 ADRA1A (0.71) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7967690 0.90 ADRA1A (0.70) ADRA1AADRA1DADRA1B
SCHEMBL7081458 0.90 ADRA1A (0.74) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7967689 0.88 ADRA1A (0.67) ADRA1AADRA1DADRA1B
SCHEMBL7966363 0.87 ADRA1A (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP 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
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed