SCHEMBL7084424

SCHEMBL7084424

COC(=O)C1=CNC(=O)N(C(=O)N[C@@H]2CCN(C3CCC(O)(c4ccccn4)CC3)C2)[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.49
ADRA1D P25100 18/20 0.49
ADRA1B P35368 18/20 0.49
CCR2 P41597 1/20 0.45

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
SCHEMBL7084427 1.00 ADRA1A (0.49) ADRA1AADRA1DADRA1BCCR2
Hydrochloric Acid SCHEMBL7965401 0.99 ADRA1A (0.48) ADRA1AADRA1DADRA1BCCR2
Hydrochloric Acid SCHEMBL7965398 0.99 ADRA1A (0.48) ADRA1AADRA1DADRA1BCCR2
SCHEMBL7079598 0.88 ADRA1D (0.54) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7081806 0.88 ADRA1D (0.54) ADRA1AADRA1DADRA1B
SCHEMBL7955146 0.87 ADRA1A (0.60) ADRA1AADRA1DADRA1B
SCHEMBL7955150 0.87 ADRA1A (0.60) ADRA1AADRA1DADRA1B
SCHEMBL7078411 0.87 ADRA1D (0.43) ADRA1AADRA1DADRA1B
SCHEMBL7955592 0.87 ADRA1D (0.43) ADRA1AADRA1DADRA1B
SCHEMBL7082157 0.86 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 6 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
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