SCHEMBL4011307

SCHEMBL4011307

COC(=O)N1CCN(c2ccc(C3(C(=O)NC4CCCN(c5ccccc5)C4)CC3)c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
CYP3A4 P08684 7/20 0.44
MAPK1 P28482 5/20 0.44
CYP2C19 P33261 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 6/20 0.41
USP2 O75604 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 3/20 0.40
HIF1A Q16665 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALOX15 P16050 2/20 0.40
CNR1 P21554 1/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5950347 1.00 PDK2 (0.44) PDK2CYP3A4MAPK1CYP2C19KMT2A
SCHEMBL5950986 0.91 SMN1; SMN2 (0.43) MAPK1KMT2AMEN1USP2SMN1; SMN2
SCHEMBL4964668 0.88 MAPT (0.47) PDK2CYP3A4MAPK1CYP2C19KMT2A
SCHEMBL4962318 0.88 MAPT (0.47) PDK2CYP3A4MAPK1CYP2C19KMT2A
SCHEMBL4964952 0.83 PDK2 (0.45) PDK2CYP3A4MAPK1CYP2C19KMT2A
SCHEMBL4964877 0.83 PDK2 (0.45) PDK2CYP3A4MAPK1CYP2C19KMT2A
SCHEMBL4965635 0.79 SMN1; SMN2 (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1CNR1
SCHEMBL4965152 0.76 LMNA (0.43) PDK2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6408605 0.76 TDP1 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4963030 0.76 PDK2 (0.46) PDK2MAPK1KMT2AMEN1HSD17B10

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-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed