SCHEMBL7837270

SCHEMBL7837270

CCc1ccc2cc(OC(C)C)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
NCF1 P14598 5/20 0.42
GPBAR1 Q8TDU6 3/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
F2RL3 Q96RI0 1/20 0.39
CBFB Q13951 1/20 0.37
ABL1 P00519 1/20 0.37
NQO1 P15559 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDE10A Q9Y233 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36

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
SCHEMBL28254810 0.86 NCF1 (0.45) PDE3BPDE3ANCF1GPBAR1CYSLTR1
SCHEMBL7835368 0.81 NCF1 (0.59) PDE3BPDE3ANCF1NQO1ALDH1A1
Ammonia Solution, Strong SCHEMBL28426316 0.80 NCF1 (0.57) PDE3BPDE3ANCF1NQO1ALDH1A1
SCHEMBL18487520 0.78 CYP1A2 (0.53) PDE3BPDE3ANCF1CBFBABL1
SCHEMBL31716032 0.77 PDE3B (0.48) PDE3BPDE3ANCF1CBFBABL1
SCHEMBL17430137 0.77 NCF1 (0.49) PDE3BPDE3ANCF1CBFBABL1
SCHEMBL22325682 0.76 ALDH1A1 (0.54) PDE3BPDE3AABL1ALDH1A1
SCHEMBL29629324 0.76 ALDH1A1 (0.54) PDE3BPDE3AABL1ALDH1A1
SCHEMBL9458374 0.76 MAPT (0.43) PDE3BPDE3AF2RL3ALDH1A1TP53
SCHEMBL7835292 0.75 MAPT (0.56) NCF1GPBAR1CYSLTR1PDE10AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444071-A Hypotensive agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-22 US claimed
EP-0412848-B1 Quinoline derivatives, process for their preparation and their use as medicaments ICI PLC (GB) 1995-01-18 EP claimed
CN-1050187-A New quinoline compound and preparation method thereof ICI PLC (GB) 1991-03-27 CN claimed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 EP claimed
EP-0470795-B2 Process for the manufacture of nitriles AVECIA LTD (GB) 2001-02-21 EP disclosed
US-5444071-A Hypotensive agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-22 US disclosed
EP-0470795-B1 Process for the manufacture of nitriles ZENECA LTD (GB) 1995-01-25 EP disclosed
EP-0470794-B1 Process for the preparation of nitriles ZENECA LTD (GB) 1995-01-25 EP disclosed
EP-0412848-B1 Quinoline derivatives, process for their preparation and their use as medicaments ICI PLC (GB) 1995-01-18 EP disclosed
EP-0495948-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1992-07-29 EP disclosed
CN-1059516-A The preparation method of biphenylcarbonitriles ICI LTD (GB) 1992-03-18 CN disclosed
CN-1058965-A The method for preparing new quinoline ICI PLC (GB) 1992-02-26 CN disclosed
WO-1992002508-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-20 WO disclosed
EP-0470795-A1 Process for the manufacture of nitriles ZENECA LIMITED (GB) 1992-02-12 EP disclosed
EP-0470794-A1 Process for the preparation of nitriles ZENECA LIMITED (GB) 1992-02-12 EP disclosed
CN-1050187-A New quinoline compound and preparation method thereof ICI PLC (GB) 1991-03-27 CN disclosed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 EP disclosed