SCHEMBL7651533

SCHEMBL7651533

Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCCN3CCC(C#N)(c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
ADRA1A P35348 6/20 0.56
ADRA1D P25100 4/20 0.56
ADRA1B P35368 3/20 0.56
SIGMAR1 Q99720 8/20 0.56
OPRM1 P35372 1/20 0.51

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
SCHEMBL7663741 0.94 HRH1 (0.69) HRH1HRH3ADRA1AADRA1DADRA1B
SCHEMBL7654432 0.90 HRH1 (0.61) HRH1HRH3ADRA1AADRA1DADRA1B
SCHEMBL7657109 0.89 ADRA1A (0.71) HRH1HRH3ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7654453 0.89 HRH1 (0.60) HRH1HRH3ADRA1AADRA1DADRA1B
SCHEMBL11718665 0.85 HRH1 (0.65) HRH1HRH3SIGMAR1
SCHEMBL7653700 0.83 OPRM1 (0.55) HRH1HRH3ADRA1AADRA1DADRA1B
SCHEMBL7665373 0.82 ADRA1A (0.61) HRH1HRH3ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7658029 0.81 ADRA1A (0.60) HRH1HRH3ADRA1AADRA1DADRA1B
SCHEMBL7681283 0.80 HRH1 (0.57) HRH1HRH3ADRA1AADRA1DADRA1B
SCHEMBL11720455 0.80 SIGMAR1 (0.88) HRH1HRH3ADRA1AADRA1DADRA1B

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