SCHEMBL5494792

SCHEMBL5494792

O=C=C(N1CCOCC1)N1CCCN(C2CCN(C(=O)OCc3ccccc3)CC2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GRIN2B Q13224 5/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
CYP3A4 P08684 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL2855805 0.81 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5866405 0.77 SMN1; SMN2 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5494794 0.77 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4281745 0.76 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3534026 0.76 SMN1; SMN2 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5866430 0.76 SMN1; SMN2 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5866437 0.75 SMN1; SMN2 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1972508 0.75 MEN1 (0.62) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1337663 0.75 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14095609 0.75 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748985-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS Takeda Pharmaceutical Company Limited (JP) 2007-02-07 EP disclosed
WO-2005113504-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-01 WO disclosed