SCHEMBL7657109

SCHEMBL7657109

Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 12/20 0.71
ADRA1D P25100 10/20 0.71
ADRA1B P35368 10/20 0.71
HRH1 P35367 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
SIGMAR1 Q99720 7/20 0.48

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
SCHEMBL7665373 0.93 ADRA1A (0.61) ADRA1AADRA1DADRA1BHRH1HRH3
Hydrochloric Acid SCHEMBL7658029 0.92 ADRA1A (0.60) ADRA1AADRA1DADRA1BHRH1HRH3
SCHEMBL7651533 0.89 HRH1 (0.61) ADRA1AADRA1DADRA1BHRH1HRH3
SCHEMBL7663741 0.83 HRH1 (0.69) ADRA1AADRA1DADRA1BHRH1HRH3
SCHEMBL7681283 0.81 HRH1 (0.57) ADRA1AADRA1DADRA1BHRH1HRH3
SCHEMBL7653823 0.81 HRH1 (0.56) ADRA1AADRA1DADRA1BHRH1HRH3
Hydrochloric Acid SCHEMBL7664647 0.80 HRH1 (0.55) ADRA1AADRA1DADRA1BHRH1HRH3
SCHEMBL7654432 0.80 HRH1 (0.61) ADRA1AADRA1DADRA1BHRH1HRH3
SCHEMBL7652320 0.79 HRH1 (0.54) ADRA1AADRA1DADRA1BHRH1HRH3
Hydrochloric Acid SCHEMBL7654453 0.79 HRH1 (0.60) ADRA1AADRA1DADRA1BHRH1HRH3

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-6436962-B1 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS; RELIEF FROM BENIGN PROSTATIC HYPERPLASIA BY LESS HINDERED URINE FLOW BY RELAXING SMOOTH MUSCLE TISSUE; WITH A TESTOSTERONE 5-ALPHA REDUCTASE INHIBITOR, FINASTERIDE; ACUTE AND CHRONIC RELIEF MERCK & CO., INC. 2002-08-20 US claimed
US-6436962-B1 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS; RELIEF FROM BENIGN PROSTATIC HYPERPLASIA BY LESS HINDERED URINE FLOW BY RELAXING SMOOTH MUSCLE TISSUE; WITH A TESTOSTERONE 5-ALPHA REDUCTASE INHIBITOR, FINASTERIDE; ACUTE AND CHRONIC RELIEF MERCK & CO., INC. 2002-08-20 US disclosed