SCHEMBL9094301

SCHEMBL9094301

CC(=NCC1Cc2cc(C)c3[nH]c(=O)ccc3c2O1)NCC1Cc2cc(C)c3[nH]c(=O)ccc3c2O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 7/20 0.36
▸ 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
▸ NQO2 P16083 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
SCHEMBL9097387 0.86 ADRB2 (0.41) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL9095909 0.85 ADRB2 (0.38) ADRB2ADRB1DRD3DRD2DRD4
SCHEMBL9094341 0.82 AQP1 (0.41) ADRB2ADRB1DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL9236348 0.81 ADRB2 (0.37) ADRB2ADRB1DRD3SLC6A2ADRA1D
Hydrochloric Acid SCHEMBL9098109 0.81 AQP1 (0.40) ADRB2ADRB1DRD3DRD2DRD4
SCHEMBL9095407 0.80 ADRB2 (0.36) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL9236880 0.80 ADRB2 (0.38) ADRB2ADRB1DRD3SLC6A2ADRA1D
Hydrochloric Acid SCHEMBL9094189 0.80 ADRB2 (0.36) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL9096487 0.80 ADRB2 (0.36) ADRB2ADRB1
SCHEMBL9093705 0.80 NQO2 (0.39) ADRB2ADRB1DRD3DRD2DRD4

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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