SCHEMBL7979301

SCHEMBL7979301

Nc1cc2c3c([nH]c2cc1OCCNCC(O)c1ccccc1)CCCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
ADRB1 P08588 6/20 0.40
ADRB3 P13945 5/20 0.40
ALDH1A1 P00352 4/20 0.39
ADRB2 P07550 6/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
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
ADRA1A P35348 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
SCHEMBL7983729 0.89 ADRB2 (0.44) ALOX15ADRB1ADRB3ALDH1A1ADRB2
SCHEMBL7979336 0.84 ADRB1 (0.42) ALOX15ADRB1ADRB3ALDH1A1ADRB2
SCHEMBL7977145 0.83 ALOX15 (0.51) ALOX15ADRB1ADRB3ALDH1A1ADRB2
SCHEMBL7967383 0.83 ALOX15 (0.51) ALOX15ADRB1ADRB3ALDH1A1ADRB2
SCHEMBL7980850 0.83 ALOX15 (0.51) ALOX15ADRB1ADRB3ALDH1A1ADRB2
SCHEMBL7070286 0.83 ADRB2 (0.49) ALOX15ADRB1ADRB3ALDH1A1ADRB2
Hydrochloric Acid SCHEMBL7107109 0.82 ADRB2 (0.48) ALOX15ADRB1ADRB3ALDH1A1ADRB2
SCHEMBL7980830 0.81 ADRB3 (0.49) ADRB1ADRB3
SCHEMBL7977543 0.78 ADRB3 (0.46) ALOX15ADRB1ADRB3ADRA1A
SCHEMBL7980783 0.77 MAPT (0.42) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E

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