SCHEMBL28007646

SCHEMBL28007646

CCC(=O)c1nn(Cc2ccc(OC)cc2)c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
MAPT P10636 4/20 0.48
THRB P10828 2/20 0.48
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PTGER4 P35408 2/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.43
ENPP2 Q13822 1/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL28098679 0.90 PTGDR2 (0.54) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL10126774 0.88 PTGDR2 (0.53) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL13347985 0.87 PTGDR2 (0.54) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL9925002 0.87 PTGDR2 (0.52) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL9925003 0.87 PTGDR2 (0.54) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL12311294 0.86 PTGDR2 (0.47) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL10126781 0.86 PTGDR2 (0.47) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL16797233 0.83 MAPT (0.48) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL10126761 0.82 PTGDR2 (0.48) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL12311296 0.81 PTGDR2 (0.47) PTGDR2MAPTTHRBLMNAL3MBTL1

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
CN-104640847-A Novel Renin Inhibitors SHANGHAI PHARMACEUTICALS HOLDING CO LTD 2015-05-20 CN disclosed