SCHEMBL9094328

SCHEMBL9094328

Cc1cc2c(c3ccc(=O)[nH]c13)OC(CNC#N)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 6/20 0.37
▸ NQO2 P16083 1/20 0.33
▸ ADRB1 P08588 2/20 0.32
▸ EZH2 Q15910 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
▸ DRD3 P35462 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
▸ GAA P10253 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
SCHEMBL9094341 0.86 AQP1 (0.41) ADRB2NQO2ADRB1EZH2SLC6A2
Hydrochloric Acid SCHEMBL9098109 0.85 AQP1 (0.40) ADRB2NQO2ADRB1EZH2SLC6A2
SCHEMBL9093705 0.84 NQO2 (0.39) ADRB2NQO2ADRB1EZH2SLC6A2
Hydrochloric Acid SCHEMBL9094266 0.84 ADRB2 (0.38) ADRB2NQO2ADRB1EZH2SLC6A2
SCHEMBL9097088 0.83 ADRB2 (0.35) ADRB2NQO2ADRB1KDM4EALDH1A1
SCHEMBL9097387 0.82 ADRB2 (0.41) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL9095909 0.81 ADRB2 (0.38) ADRB2NQO2ADRB1EZH2SLC6A2
SCHEMBL9094037 0.81 ADRB2 (0.38) ADRB2NQO2ADRB1SLC6A2ADRA1D
SCHEMBL9094138 0.81 ADRB2 (0.40) ADRB2NQO2ADRB1SLC6A2ADRA1D
SCHEMBL9096420 0.81 ADRB2 (0.38) ADRB2NQO2ADRB1SLC6A2ADRA1D

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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