SCHEMBL7977666

SCHEMBL7977666

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.39
ADRB1 P08588 3/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
ADRB3 P13945 11/20 0.39
ADRA1A P35348 6/20 0.39

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
SCHEMBL7980958 0.88 ADRB2 (0.49) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL7979295 0.88 ALOX15 (0.41) ADRB2ADRB1ADRB3ADRA1A
SCHEMBL7967052 0.88 ADRB2 (0.43) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL7977543 0.87 ADRB3 (0.46) ADRB1ADRB3ADRA1A
SCHEMBL7967289 0.86 ADRB2 (0.45) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL7983569 0.86 ADRB2 (0.56) ADRB2ADRB1DRD2DRD3ADRB3
SCHEMBL7983402 0.85 ADRB3 (0.38) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL7980850 0.85 ALOX15 (0.51) ADRB2ADRB1ADRB3ADRA1A
SCHEMBL7967383 0.85 ALOX15 (0.51) ADRB2ADRB1ADRB3ADRA1A
SCHEMBL7977145 0.85 ALOX15 (0.51) ADRB2ADRB1ADRB3ADRA1A

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