SCHEMBL9236880

SCHEMBL9236880

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 10/20 0.38
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ EZH2 Q15910 1/20 0.33
▸ ADRB1 P08588 4/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ SRSF6 Q13247 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32

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 SCHEMBL9236201 0.99 ADRB2 (0.38) ADRB2NFKB1NFKB2RELAKDM4E
Hydrochloric Acid SCHEMBL9232047 0.99 ADRB2 (0.38) ADRB2NFKB1NFKB2RELAKDM4E
SCHEMBL9097387 0.86 ADRB2 (0.41) ADRB2KDM4EALDH1A1ADRB1SLC6A2
Hydrochloric Acid SCHEMBL9236348 0.85 ADRB2 (0.37) ADRB2NFKB1NFKB2RELAKDM4E
SCHEMBL9095407 0.84 ADRB2 (0.36) ADRB2KDM4EALDH1A1EZH2ADRB1
SCHEMBL9096487 0.84 ADRB2 (0.36) ADRB2NFKB1NFKB2RELAKDM4E
Hydrochloric Acid SCHEMBL9095026 0.84 ADRB2 (0.37) ADRB2KDM4EALDH1A1ADRB1SLC6A2
SCHEMBL9095909 0.83 ADRB2 (0.38) ADRB2NFKB1NFKB2RELAALDH1A1
SCHEMBL9095073 0.83 CYP1A2 (0.37) ADRB2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9094427 0.83 ADRB2 (0.36) ADRB2KDM4EALDH1A1EZH2ADRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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