SCHEMBL7967534

SCHEMBL7967534

CN(C)S(=O)(=O)Nc1cc([C@@H](O)CNCCOc2ccc3c4c([nH]c3c2)CCCC4)ccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.42
ADRB3 P13945 12/20 0.41
ADRA1A P35348 5/20 0.40
CHRM3 P20309 1/20 0.39
MCHR1 Q99705 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL7967536 1.00 ADRB2 (0.42) ADRB2ADRB3ADRA1ACHRM3MCHR1
SCHEMBL7980626 0.94 MAPT (0.42) ADRB2ADRB3ALOX15
SCHEMBL7980624 0.94 MAPT (0.42) ADRB2ADRB3ALOX15
SCHEMBL7967366 0.93 ADRB3 (0.47) ADRB2ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7978869 0.92 ADRB3 (0.47) ADRB2ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7978873 0.92 ADRB3 (0.47) ADRB2ADRB3ADRA1A
SCHEMBL6911399 0.89 ADRB3 (0.44) ADRB2ADRB3ADRA1A
SCHEMBL7106651 0.89 ADRB3 (0.44) ADRB2ADRB3ADRA1A
SCHEMBL7106659 0.89 ADRB3 (0.44) ADRB2ADRB3ADRA1A
SCHEMBL7983630 0.89 ADRB2 (0.41) ADRB2ADRB3ADRA1AMCHR1ALOX15

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