SCHEMBL7983729

SCHEMBL7983729

Oc1cc2c3c([nH]c2cc1OCCNCC(O)c1ccccc1)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.44
ADRB1 P08588 8/20 0.44
DRD2 P14416 5/20 0.44
DRD3 P35462 5/20 0.44
DRD1 P21728 4/20 0.44
DRD4 P21917 4/20 0.44
ALOX15 P16050 1/20 0.42
ADRB3 P13945 5/20 0.41
ALDH1A1 P00352 2/20 0.40
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 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
SCHEMBL7979301 0.89 ALOX15 (0.41) ADRB2ADRB1DRD2DRD3DRD1
SCHEMBL7979336 0.85 ADRB1 (0.42) ADRB2ADRB1DRD2DRD3DRD1
SCHEMBL7967383 0.84 ALOX15 (0.51) ADRB2ADRB1ALOX15ADRB3ALDH1A1
SCHEMBL7977145 0.84 ALOX15 (0.51) ADRB2ADRB1ALOX15ADRB3ALDH1A1
SCHEMBL7980850 0.84 ALOX15 (0.51) ADRB2ADRB1ALOX15ADRB3ALDH1A1
SCHEMBL7068691 0.83 ADRB2 (0.50) ADRB2ADRB1DRD2DRD3DRD1
SCHEMBL7980797 0.82 ADRB3 (0.51) ADRB2ADRB1ADRB3
SCHEMBL7979295 0.77 ALOX15 (0.41) ADRB2ADRB1ALOX15ADRB3ALDH1A1
SCHEMBL7983735 0.77 MAPT (0.42) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL7980718 0.76 ADRB2 (0.46) ADRB2ADRB1DRD2DRD3ALOX15

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 2 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 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