SCHEMBL7250076

SCHEMBL7250076

CCS(=O)(=O)Nc1cccc2c1CSC2c1cnc[nH]1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.67
ADRA1A P35348 1/20 0.47

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
SCHEMBL7254360 0.89 ADRA2A (0.70) ADRA2AADRA1A
SCHEMBL7254081 0.84 ADRA2A (0.72) ADRA2AADRA1A
SCHEMBL7250844 0.78 ADRA2A (0.70) ADRA2AADRA1A
SCHEMBL7097478 0.78 ADRA2A (0.45) ADRA2AADRA1A
SCHEMBL7252108 0.77 ADRA2A (0.70) ADRA2AADRA1A
SCHEMBL7248421 0.76 ADRA2A (0.67) ADRA2A
SCHEMBL7254739 0.75 ADRA2A (0.68) ADRA2AADRA1A
SCHEMBL7252850 0.74 ADRA2A (0.70) ADRA2A
SCHEMBL7250756 0.73 ADRA2A (0.72) ADRA2AADRA1A
SCHEMBL7104865 0.72 ADRA2A (0.86) ADRA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 US disclosed
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO disclosed