SCHEMBL7080849

SCHEMBL7080849

COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CCN(C3CCC(c4ccc(F)cc4)CC3)C2)C(=O)N1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.64
ADRA1D P25100 18/20 0.64
ADRA1B P35368 18/20 0.64
MCHR1 Q99705 2/20 0.52
DRD2 P14416 1/20 0.52

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 SCHEMBL7080847 0.99 ADRA1D (0.64) ADRA1AADRA1DADRA1BMCHR1
SCHEMBL7083091 0.92 ADRA1A (0.63) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7966193 0.91 ADRA1A (0.62) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7971063 0.91 ADRA1A (0.62) ADRA1AADRA1DADRA1BMCHR1DRD2
Hydrochloric Acid SCHEMBL7967998 0.91 ADRA1A (0.62) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7163560 0.91 ADRA1A (0.62) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL8142311 0.91 ADRA1A (0.71) ADRA1AADRA1DADRA1B
SCHEMBL8142307 0.91 ADRA1A (0.71) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7966190 0.90 ADRA1D (0.62) ADRA1AADRA1DADRA1BMCHR1
Hydrochloric Acid SCHEMBL7163558 0.90 ADRA1D (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 9 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 claimed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US claimed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP claimed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO 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