SCHEMBL7981096

SCHEMBL7981096

CS(=O)(=O)Nc1cc([C@@H](O)CNCCOc2ccc3c4c(oc3c2)CCCC4)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.45
ADRA1A P35348 8/20 0.44
MAOB P27338 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ADRB2 P07550 1/20 0.42

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
SCHEMBL7981099 1.00 ADRB3 (0.45) ADRB3ADRA1AMAOBTDP1ADRB2
SCHEMBL7979311 0.93 ADRB3 (0.42) ADRB3ADRA1AMAOBTDP1ADRB2
SCHEMBL7979314 0.93 ADRB3 (0.42) ADRB3ADRA1AMAOBTDP1ADRB2
SCHEMBL7107952 0.89 ADRB3 (0.48) ADRB3ADRA1A
SCHEMBL7967366 0.86 ADRB3 (0.47) ADRB3ADRA1AADRB2
SCHEMBL7967364 0.86 ADRB3 (0.55) ADRB3ADRA1A
SCHEMBL7967369 0.86 ADRB3 (0.55) ADRB3ADRA1A
SCHEMBL7980858 0.86 ADRB3 (0.55) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7978869 0.85 ADRB3 (0.47) ADRB3ADRA1AADRB2
Hydrochloric Acid SCHEMBL7978873 0.85 ADRB3 (0.47) ADRB3ADRA1AADRB2

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