SCHEMBL8399228

SCHEMBL8399228

CNC(=O)/C(=N/OC)c1ccccc1COc1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.64
MRGPRX4 Q96LA9 1/20 0.46
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAOB P27338 1/20 0.40
HTR6 P50406 1/20 0.40
LMNA P02545 1/20 0.40
PARP10 Q53GL7 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39

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
SCHEMBL8399234 1.00 HIF1A (0.64) HIF1AMRGPRX4SLC6A2SLC6A4HTR1A
SCHEMBL8369605 0.91 HIF1A (0.57) HIF1AMRGPRX4MAOBPARP10PARP15
SCHEMBL8369603 0.91 HIF1A (0.57) HIF1AMRGPRX4MAOBPARP10PARP15
SCHEMBL8368224 0.90 HIF1A (0.66) HIF1AMRGPRX4MAOBLMNA
SCHEMBL8368226 0.90 HIF1A (0.66) HIF1AMRGPRX4MAOBLMNA
SCHEMBL8399093 0.89 HIF1A (0.62) HIF1AMRGPRX4SLC6A2SLC6A4HTR1A
SCHEMBL8399089 0.89 HIF1A (0.62) HIF1AMRGPRX4SLC6A2SLC6A4HTR1A
SCHEMBL8371619 0.89 HIF1A (0.64) HIF1A
SCHEMBL8371621 0.89 HIF1A (0.64) HIF1A
SCHEMBL8396304 0.89 HIF1A (0.64) HIF1A

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