SCHEMBL7979336

SCHEMBL7979336

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.42
ADRB3 P13945 5/20 0.42
ALOX15 P16050 1/20 0.42
PARP14 Q460N5 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.38
ADRB2 P07550 4/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL7069436 0.85 ADRB2 (0.47) ADRB1ADRB3ALOX15ALDH1A1SMN1; SMN2
SCHEMBL7983729 0.85 ADRB2 (0.44) ADRB1ADRB3ALOX15ALDH1A1SMN1; SMN2
SCHEMBL7979301 0.84 ALOX15 (0.41) ADRB1ADRB3ALOX15ALDH1A1SMN1; SMN2
SCHEMBL7979341 0.81 MAPT (0.44) PARP14ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL7980850 0.79 ALOX15 (0.51) ADRB1ADRB3ALOX15ALDH1A1ADRB2
SCHEMBL7977145 0.79 ALOX15 (0.51) ADRB1ADRB3ALOX15ALDH1A1ADRB2
SCHEMBL7967383 0.79 ALOX15 (0.51) ADRB1ADRB3ALOX15ALDH1A1ADRB2
SCHEMBL7979338 0.79 PARP14 (0.43) PARP14ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL7980797 0.74 ADRB3 (0.51) ADRB1ADRB3ADRB2
SCHEMBL7980830 0.72 ADRB3 (0.49) ADRB1ADRB3

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