SCHEMBL9096136

SCHEMBL9096136

Cc1cc2c(c3ccc(=O)[nH]c13)OC(COCCO)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 7/20 0.37
▸ NQO2 P16083 1/20 0.33
▸ ADRB1 P08588 2/20 0.32
▸ DRD3 P35462 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ SRSF6 Q13247 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30

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
Hydrochloric Acid SCHEMBL9095917 0.89 ADRB2 (0.34) ADRB2NQO2KDM4EALDH1A1GLA
SCHEMBL9097401 0.86 ADRB2 (0.39) ADRB2NQO2ADRB1DRD3DRD2
SCHEMBL9094138 0.86 ADRB2 (0.40) ADRB2NQO2ADRB1DRD3DRD2
SCHEMBL9096193 0.84 ADRB2 (0.37) ADRB2NQO2ADRB1DRD3DRD2
SCHEMBL9093732 0.82 ADRB2 (0.35) ADRB2NQO2ADRB1KDM4EALDH1A1
SCHEMBL9094055 0.81 ADRB2 (0.38) ADRB2NQO2ADRB1DRD3DRD2
SCHEMBL9094037 0.81 ADRB2 (0.38) ADRB2NQO2ADRB1DRD3DRD2
SCHEMBL9097351 0.81 ADRB2 (0.38) ADRB2NQO2ADRB1DRD3DRD2
SCHEMBL9096420 0.81 ADRB2 (0.38) ADRB2NQO2ADRB1DRD3DRD2
Hydrochloric Acid SCHEMBL9095455 0.80 ADRB2 (0.38) ADRB2NQO2ADRB1DRD3DRD2

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-5576324-A Quinoline derivatives or salt thereof and remedy for cardiac diseases containing the same KOWA CO., LTD. (JP) 1996-11-19 — — US disclosed
EP-0638571-A1 QUINOLINE DERIVATIVE OR SALT THEREOF AND REMEDY FOR CARDIAC DISEASES CONTAINING THE SAME KOWA CO. LTD. (JP) 1995-02-15 — — EP disclosed
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