SCHEMBL7979102

SCHEMBL7979102

CS(=O)(=O)Nc1cc([C@H](O)CNCCOc2ccc3c4c([nH]c3c2)CCCC4)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.54
ADRA1A P35348 7/20 0.50
ADRB2 P07550 1/20 0.47
CHRM3 P20309 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
SCHEMBL7600308 1.00 ADRB3 (0.54) ADRB3ADRA1AADRB2CHRM3
SCHEMBL7600305 1.00 ADRB3 (0.54) ADRB3ADRA1AADRB2CHRM3
Hydrochloric Acid SCHEMBL7979220 0.99 ADRB3 (0.54) ADRB3ADRA1AADRB2CHRM3
Hydrochloric Acid SCHEMBL7983471 0.99 ADRB3 (0.54) ADRB3ADRA1AADRB2CHRM3
Hydrochloric Acid SCHEMBL7979217 0.99 ADRB3 (0.54) ADRB3ADRA1AADRB2CHRM3
SCHEMBL7977520 0.93 ADRB3 (0.48) ADRB3ADRA1AADRB2CHRM3
SCHEMBL7977531 0.93 ADRB3 (0.54) ADRB3ADRA1A
SCHEMBL7967135 0.93 ADRB3 (0.54) ADRB3ADRA1A
SCHEMBL7967379 0.93 ADRB3 (0.54) ADRB3ADRA1A
SCHEMBL7977272 0.92 ADRB3 (0.46) ADRB3ADRA1AADRB2CHRM3

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 4 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 claimed
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 claimed
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