SCHEMBL7979401

SCHEMBL7979401

CC(=O)NC1CCc2[nH]c3cc(OCCNCC(O)c4ccc(O)c(NS(C)(=O)=O)c4)ccc3c2C1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.46
ADRA1A P35348 7/20 0.45

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
SCHEMBL7979296 0.89 ADRB3 (0.57) ADRB3ADRA1A
SCHEMBL7983526 0.89 ADRB3 (0.49) ADRB3ADRA1A
SCHEMBL7979362 0.89 ADRB3 (0.49) ADRB3ADRA1A
SCHEMBL7600305 0.85 ADRB3 (0.54) ADRB3ADRA1A
SCHEMBL7980655 0.85 ADRB3 (0.44) ADRB3ADRA1A
SCHEMBL7979102 0.85 ADRB3 (0.54) ADRB3ADRA1A
SCHEMBL7600308 0.85 ADRB3 (0.54) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7979220 0.84 ADRB3 (0.54) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7979217 0.84 ADRB3 (0.54) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7983471 0.84 ADRB3 (0.54) ADRB3ADRA1A

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-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed