SCHEMBL7717231

SCHEMBL7717231

COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCNC2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)C(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.59
ADRA1D P25100 19/20 0.59
ADRA1B P35368 19/20 0.59

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
SCHEMBL7711270 1.00 ADRA1A (0.59) ADRA1AADRA1DADRA1B
SCHEMBL7717243 0.92 ADRA1A (0.62) ADRA1AADRA1DADRA1B
SCHEMBL7717124 0.92 ADRA1A (0.62) ADRA1AADRA1DADRA1B
SCHEMBL7711125 0.91 ADRA1A (0.61) ADRA1AADRA1DADRA1B
SCHEMBL7718975 0.91 ADRA1A (0.61) ADRA1AADRA1DADRA1B
SCHEMBL7716008 0.90 ADRA1A (0.72) ADRA1AADRA1DADRA1B
SCHEMBL7714971 0.90 ADRA1A (0.72) ADRA1AADRA1DADRA1B
SCHEMBL7714888 0.89 ADRA1A (0.63) ADRA1AADRA1DADRA1B
SCHEMBL7716743 0.87 ADRA1A (0.64) ADRA1AADRA1DADRA1B
SCHEMBL7716789 0.86 ADRA1A (0.61) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US claimed
EP-1023068-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-16 EP claimed
EP-1023068-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-08-02 EP claimed
WO-1998057638-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO claimed
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed
EP-1023068-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-16 EP disclosed
EP-1023068-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1998057638-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed