SCHEMBL7983630

SCHEMBL7983630

CNc1cc(C(O)CNCCOc2ccc3c4c([nH]c3c2)CCCC4)ccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.41
MCHR1 Q99705 4/20 0.38
ALOX15 P16050 1/20 0.38
ADRB3 P13945 3/20 0.38
ADRA1A P35348 2/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
ADRB1 P08588 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL7967366 0.91 ADRB3 (0.47) ADRB2ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7978873 0.90 ADRB3 (0.47) ADRB2ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7978869 0.90 ADRB3 (0.47) ADRB2ADRB3ADRA1A
SCHEMBL7967536 0.89 ADRB2 (0.42) ADRB2MCHR1ALOX15ADRB3ADRA1A
SCHEMBL7967534 0.89 ADRB2 (0.42) ADRB2MCHR1ALOX15ADRB3ADRA1A
SCHEMBL6913749 0.87 CTSV (0.45) ADRB2ALOX15ADRB3ADRA1AKDM4E
Hydrochloric Acid SCHEMBL7111021 0.86 CTSV (0.44) ADRB2ALOX15ADRB3ADRA1AKDM4E
SCHEMBL7967052 0.85 ADRB2 (0.43) ADRB2ADRB3ADRA1ADRD2DRD1
SCHEMBL7980850 0.83 ALOX15 (0.51) ADRB2ALOX15ADRB3ADRA1AADRB1
SCHEMBL7967383 0.83 ALOX15 (0.51) ADRB2ALOX15ADRB3ADRA1AADRB1

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