SCHEMBL8840426

SCHEMBL8840426

CCOCc1nccc(NC2CCC(c3ccccc3)CC2)c1OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.36
GRM2 Q14416 2/20 0.35
PRCP P42785 1/20 0.34
GRIN2B Q13224 1/20 0.33
MAPT P10636 1/20 0.33
NSD2 O96028 1/20 0.33
DHFR P00374 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
HTR1A P08908 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
SCHEMBL8840433 1.00 PRMT5 (0.36) PRMT5GRM2PRCPGRIN2BMAPT
SCHEMBL8840515 0.90 MAPT (0.35) MAPTNSD2MEN1KMT2AALDH1A1
SCHEMBL8840509 0.90 MAPT (0.35) MAPTNSD2MEN1KMT2AALDH1A1
SCHEMBL8840507 0.82 GRM2 (0.39) GRM2PRCPGRIN2BMAPTALDH1A1
SCHEMBL8840497 0.82 GRM2 (0.39) GRM2PRCPGRIN2BMAPTALDH1A1
SCHEMBL8840482 0.82 FGFR2 (0.36) PRMT5MAPTNSD2MEN1LMNA
SCHEMBL8840472 0.82 FGFR2 (0.36) PRMT5MAPTNSD2MEN1LMNA
SCHEMBL8705766 0.81 HTR1A (0.38) GRM2PRCPGRIN2BNSD2ALDH1A1
SCHEMBL8705767 0.81 HTR1A (0.38) GRM2PRCPGRIN2BNSD2ALDH1A1
SCHEMBL8840429 0.80 HTR1A (0.33) GRM2PRCPGRIN2BMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 US disclosed
EP-0719255-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed