SCHEMBL7983402

SCHEMBL7983402

O=[N+]([O-])c1cc(C(O)CNCCOc2ccc3c4c([nH]c3c2)CCCC4)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.38
ADRA1A P35348 7/20 0.38
ADRB2 P07550 7/20 0.38
ADRB1 P08588 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
CMKLR1 Q99788 1/20 0.35

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
SCHEMBL7980832 0.86 ADRB3 (0.44) ADRB3ADRA1AADRB1MEN1MAPT
SCHEMBL7977666 0.85 ADRB2 (0.39) ADRB3ADRA1AADRB2ADRB1DRD2
SCHEMBL6915402 0.84 ADRB2 (0.43) ADRB3ADRA1AADRB2ADRB1DRD2
SCHEMBL7980958 0.84 ADRB2 (0.49) ADRB3ADRA1AADRB2ADRB1MEN1
SCHEMBL7983569 0.84 ADRB2 (0.56) ADRB3ADRA1AADRB2ADRB1DRD2
SCHEMBL7979295 0.84 ALOX15 (0.41) ADRB3ADRA1AADRB2ADRB1MEN1
SCHEMBL7967052 0.84 ADRB2 (0.43) ADRB3ADRA1AADRB2ADRB1DRD2
Hydrochloric Acid SCHEMBL7112099 0.84 ADRB2 (0.42) ADRB3ADRA1AADRB2ADRB1DRD2
SCHEMBL7979102 0.83 ADRB3 (0.54) ADRB3ADRA1AADRB2
SCHEMBL7600305 0.83 ADRB3 (0.54) 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 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