SCHEMBL7980718

SCHEMBL7980718

Oc1ccccc1C(O)CNCCOc1ccc2c3c([nH]c2c1)CCCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.46
ADRB1 P08588 13/20 0.46
ADRB3 P13945 8/20 0.38
ADRA1A P35348 2/20 0.38
ALOX15 P16050 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37
CHRM3 P20309 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7967235 0.90 ADRB2 (0.41) ADRB2ADRB1ADRB3ADRA1AALOX15
SCHEMBL7967383 0.87 ALOX15 (0.51) ADRB2ADRB1ADRB3ADRA1AALOX15
SCHEMBL7977145 0.87 ALOX15 (0.51) ADRB2ADRB1ADRB3ADRA1AALOX15
SCHEMBL7980850 0.87 ALOX15 (0.51) ADRB2ADRB1ADRB3ADRA1AALOX15
SCHEMBL7979295 0.84 ALOX15 (0.41) ADRB2ADRB1ADRB3ADRA1AALOX15
SCHEMBL6916813 0.84 ADRB2 (0.53) ADRB2ADRB1ADRB3ADRA1AALOX15
Hydrochloric Acid SCHEMBL7107443 0.83 ADRB2 (0.52) ADRB2ADRB1ADRB3ADRA1AALOX15
SCHEMBL7967591 0.83 ADRB3 (0.51) ADRB2ADRB1ADRB3ADRA1ALMNA
SCHEMBL7980559 0.83 ADRB3 (0.49) ADRB3ADRA1ALMNAMAPT
SCHEMBL7977666 0.82 ADRB2 (0.39) ADRB2ADRB1ADRB3ADRA1ADRD2

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