SCHEMBL9097387

SCHEMBL9097387

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 9/20 0.41
▸ MTNR1A P48039 5/20 0.37
▸ ADRB1 P08588 3/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ SRSF6 Q13247 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ MTNR1B P49286 4/20 0.34
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PTGS1 P23219 1/20 0.34

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
SCHEMBL9095909 0.90 ADRB2 (0.38) ADRB2ADRB1SLC6A2SLC6A4ADRA1D
Hydrochloric Acid SCHEMBL9236348 0.87 ADRB2 (0.37) ADRB2ADRB1SLC6A2SLC6A4ADRA1D
SCHEMBL9094301 0.86 ADRB2 (0.36) ADRB2ADRB1SLC6A2SLC6A4ADRA1D
SCHEMBL9095407 0.86 ADRB2 (0.36) ADRB2ADRB1SLC6A2SLC6A4ADRA1D
SCHEMBL9096487 0.86 ADRB2 (0.36) ADRB2MTNR1AADRB1MTNR1BKDM4E
Hydrochloric Acid SCHEMBL9094189 0.86 ADRB2 (0.36) ADRB2ADRB1SLC6A2SLC6A4ADRA1D
SCHEMBL9236880 0.86 ADRB2 (0.38) ADRB2ADRB1SLC6A2SLC6A4ADRA1D
SCHEMBL9094341 0.86 AQP1 (0.41) ADRB2ADRB1SLC6A2SLC6A4ADRA1D
Hydrochloric Acid SCHEMBL9236201 0.86 ADRB2 (0.38) ADRB2ADRB1SLC6A2SLC6A4ADRA1D
Hydrochloric Acid SCHEMBL9232047 0.86 ADRB2 (0.38) ADRB2ADRB1SLC6A2SLC6A4ADRA1D

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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