SCHEMBL7977145

SCHEMBL7977145

O[C@@H](CNCCOc1ccc2c3c([nH]c2c1)CCCC3)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
ADRB3 P13945 17/20 0.46
ADRB1 P08588 5/20 0.46
ADRA1A P35348 8/20 0.44
ALDH1A1 P00352 1/20 0.41
ADRB2 P07550 1/20 0.41

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
SCHEMBL7967383 1.00 ALOX15 (0.51) ALOX15ADRB3ADRB1ADRA1AALDH1A1
SCHEMBL7980850 1.00 ALOX15 (0.51) ALOX15ADRB3ADRB1ADRA1AALDH1A1
SCHEMBL7979295 0.91 ALOX15 (0.41) ALOX15ADRB3ADRB1ADRA1AALDH1A1
SCHEMBL7977543 0.90 ADRB3 (0.46) ALOX15ADRB3ADRB1ADRA1A
SCHEMBL7980718 0.87 ADRB2 (0.46) ALOX15ADRB3ADRB1ADRA1AALDH1A1
SCHEMBL7967235 0.86 ADRB2 (0.41) ALOX15ADRB3ADRB1ADRA1AALDH1A1
SCHEMBL7980931 0.86 ADRB3 (0.50) ALOX15ADRB3ADRA1AADRB2
SCHEMBL7980832 0.86 ADRB3 (0.44) ALOX15ADRB3ADRB1ADRA1A
SCHEMBL7983967 0.85 HTR1D (0.48) ALOX15ADRB3ADRB1ADRA1AALDH1A1
SCHEMBL7983718 0.85 ADRB3 (0.65) ADRB3ADRB1ADRA1AADRB2

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