SCHEMBL7967289

SCHEMBL7967289

NC(=O)Nc1cc(C(O)CNCCOc2ccc3c4c([nH]c3c2)CCCC4)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.45
ADRB3 P13945 8/20 0.41
ALOX15 P16050 1/20 0.40
ADRB1 P08588 5/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
ADRA1A P35348 3/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 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
SCHEMBL7983569 0.88 ADRB2 (0.56) ADRB2ADRB3ADRB1DRD2DRD3
SCHEMBL7967052 0.88 ADRB2 (0.43) ADRB2ADRB3ADRB1DRD2DRD3
SCHEMBL7600308 0.87 ADRB3 (0.54) ADRB2ADRB3ADRA1A
SCHEMBL7979102 0.87 ADRB3 (0.54) ADRB2ADRB3ADRA1A
SCHEMBL7600305 0.87 ADRB3 (0.54) ADRB2ADRB3ADRA1A
SCHEMBL7977666 0.86 ADRB2 (0.39) ADRB2ADRB3ADRB1DRD2DRD3
Hydrochloric Acid SCHEMBL7983471 0.86 ADRB3 (0.54) ADRB2ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7979220 0.86 ADRB3 (0.54) ADRB2ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7979217 0.86 ADRB3 (0.54) ADRB2ADRB3ADRA1A
SCHEMBL6912195 0.85 ADRB2 (0.47) ADRB2ADRB3ALOX15ADRB1DRD2

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