SCHEMBL8399231

SCHEMBL8399231

CON=CC(=O)N(C)c1ccccc1COc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR6 P50406 1/20 0.39
MAOB P27338 2/20 0.39
NR4A2 P43354 1/20 0.37
DCPS Q96C86 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8396306 0.88 HIF1A (0.42) HIF1AMAOBKMT2AMEN1
SCHEMBL8399075 0.88 KMT2A (0.42) MAOBKMT2AMEN1
SCHEMBL8399090 0.88 HIF1A (0.43) HIF1AMRGPRX4SLC6A2SLC6A4HTR1A
SCHEMBL8395436 0.87 MCL1 (0.45) HIF1AMRGPRX4MAOBNR4A2
SCHEMBL8399143 0.85 MAOB (0.39) HIF1AMAOBNR4A2KMT2AMEN1
SCHEMBL8396308 0.84 KMT2A (0.44) HIF1ADCPSKMT2AMEN1
SCHEMBL8397983 0.84 TDP1 (0.41) HIF1AMAOB
SCHEMBL8399047 0.84 GRM5 (0.39) HIF1AMAOB
SCHEMBL8400501 0.82 FFAR1 (0.40) HIF1AMAOBKMT2AMEN1
SCHEMBL8395326 0.81 LMNA (0.43) MRGPRX4MAOBKMT2AMEN1

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