SCHEMBL8400207

SCHEMBL8400207

CCN(C(=O)C=NOC)c1ccccc1COc1cc(C)cc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
HIF1A Q16665 3/20 0.36
TSPO P30536 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.34
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL8395954 0.92 HIF1A (0.41) CYP3A4LMNAHIF1ASMN1; SMN2MAPT
SCHEMBL8399105 0.90 FFAR1 (0.39) CYP3A4LMNAHIF1AKDM4EALDH1A1
SCHEMBL8400198 0.87 TDP1 (0.40) CYP3A4LMNAHIF1ASMN1; SMN2KDM4E
SCHEMBL8399047 0.87 GRM5 (0.39) LMNAHIF1ASMN1; SMN2F2GRM5
SCHEMBL9241220 0.85 RECQL (0.41) CYP3A4LMNAHIF1ASMN1; SMN2ALDH1A1
SCHEMBL8398993 0.85 KMT2A (0.41) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL8395678 0.84 MRGPRX4 (0.39) CYP3A4LMNAHIF1ASMN1; SMN2KDM4E
SCHEMBL8398007 0.84 SMN1; SMN2 (0.39) CYP3A4LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL8399090 0.84 HIF1A (0.43) HIF1AMEN1KMT2AMAOB
SCHEMBL8398724 0.84 NISCH (0.38) CYP3A4LMNAHIF1AKDM4EALDH1A1

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
EP-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 EP disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 EP disclosed