SCHEMBL22416146

SCHEMBL22416146

COc1ccc(Cn2nc(C(=O)NCC(C)O)c(=O)c3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 8/20 0.62
▸ CNR1 P21554 2/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ P2RX4 Q99571 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CHRM1 P11229 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MARK4 Q96L34 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL16341433 1.00 PTGER4 (0.62) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341191 1.00 PTGER4 (0.62) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341447 0.90 PTGER4 (0.60) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341681 0.89 PTGER4 (0.62) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341822 0.86 PTGER4 (0.64) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341676 0.84 PTGER4 (0.62) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341426 0.84 PTGER4 (0.62) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341865 0.83 PTGER4 (0.66) PTGER4CNR1CNR2P2RX4CHRM1
SCHEMBL16340925 0.82 PTGER4 (0.63) PTGER4CNR1CNR2P2RX4CHRM1
SCHEMBL1219481 0.80 PTGER4 (0.88) PTGER4CNR1CNR2ALOX15L3MBTL1

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-2821401-B1 DIHYDROQUINOLINONE COMPOUNDS AS MODULATORS OF THE MUSCARININC M1 RECEPTOR TAKEDA PHARMACEUTICALS CO (JP) 2020-09-09 — — EP disclosed
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