SCHEMBL4010767

SCHEMBL4010767

O=C(NC1CCCN(c2ccc(-c3ccc(Cl)cc3)cn2)C1)C12CC3CC(C1)C(O)C(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
BTK Q06187 1/20 0.40
HSD11B1 P28845 7/20 0.38
HSD11B2 P80365 4/20 0.38
SYK P43405 2/20 0.38
CNR1 P21554 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
MCHR1 Q99705 2/20 0.36
KCNH2 Q12809 1/20 0.36
CNR2 P34972 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
SCHEMBL4286556 1.00 S100A4 (0.41) S100A4KMT2AMEN1BTKHSD11B1
SCHEMBL4011662 0.94 KMT2A (0.42) S100A4KMT2AMEN1BTKHSD11B1
SCHEMBL3999588 0.94 KMT2A (0.42) S100A4KMT2AMEN1BTKHSD11B1
SCHEMBL4011713 0.91 SYK (0.39) S100A4KMT2AMEN1HSD11B1HSD11B2
SCHEMBL4004297 0.90 HSD11B1 (0.40) S100A4KMT2AMEN1HSD11B1HSD11B2
SCHEMBL4152408 0.89 HSD11B1 (0.44) BTKHSD11B1
SCHEMBL4002517 0.89 KMT2A (0.47) S100A4KMT2AMEN1BTKHSD11B1
SCHEMBL4002511 0.89 KMT2A (0.47) S100A4KMT2AMEN1BTKHSD11B1
SCHEMBL4143208 0.89 HSD11B1 (0.41) KMT2AHSD11B1HSD11B2
SCHEMBL4003550 0.88 SYK (0.40) KMT2AMEN1HSD11B1HSD11B2SYK

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 6 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 claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed
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