SCHEMBL7524501

SCHEMBL7524501

CC(C)(C)OC(=O)N1CCCCC1CNC(=O)CN

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
OPRD1 P41143 1/20 0.46
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE8B O95263 1/20 0.44
AHCY P23526 3/20 0.43
PRMT5 O14744 1/20 0.41
ATM Q13315 2/20 0.39
CHEK2 O96017 1/20 0.39
EPHX1 P07099 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
SCHEMBL2051994 0.87 KDM1A (0.46) KDM1AOPRD1FPR3FPR2SMN1; SMN2
SCHEMBL17753877 0.85 KDM1A (0.48) KDM1AOPRD1FPR3FPR2SMN1; SMN2
SCHEMBL337877 0.83 OPRD1 (0.48) KDM1AOPRD1FPR3FPR2SMN1; SMN2
SCHEMBL13853714 0.83 OPRD1 (0.51) KDM1AOPRD1FPR3FPR2SMN1; SMN2
SCHEMBL338047 0.83 OPRD1 (0.48) KDM1AOPRD1FPR3FPR2SMN1; SMN2
SCHEMBL6923421 0.83 OPRD1 (0.48) KDM1AOPRD1FPR3FPR2SMN1; SMN2
SCHEMBL1244838 0.82 KDM1A (0.50) KDM1AOPRD1FPR3FPR2SMN1; SMN2
SCHEMBL5654694 0.82 KDM1A (0.50) KDM1AOPRD1FPR3FPR2SMN1; SMN2
SCHEMBL27353398 0.82 KDM1A (0.50) KDM1AOPRD1FPR3FPR2SMN1; SMN2
SCHEMBL80021 0.82 PDE8B (0.49) KDM1AOPRD1SMN1; SMN2PDE8BATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179341-A1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LIMITED (JP) 2002-02-13 EP disclosed