SCHEMBL5984835

SCHEMBL5984835

CC(C)COC(=O)N1CC[C@H](NCc2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 15/20 0.46
HSD11B1 P28845 1/20 0.43
KIT P10721 1/20 0.41
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL5984831 0.83 STS (0.56) ALDH1A1
SCHEMBL4492750 0.80 ENPP2 (0.45) ENPP2
SCHEMBL16053741 0.76 ENPP2 (0.46) ENPP2KIT
SCHEMBL1433531 0.75 NOS2 (0.44) KITNOS1NOS2KDM4EALDH1A1
SCHEMBL5968192 0.75 JAK2 (0.42) ENPP2KITALDH1A1SMN1; SMN2KCNH2
SCHEMBL5993383 0.74 MAPT (0.51) KDM4EALDH1A1SMN1; SMN2KCNH2
SCHEMBL5030313 0.72 GAA (0.48) KITKDM4ESMN1; SMN2
SCHEMBL5308786 0.72 THRB (0.62) HSD11B1KITNOS1NOS2SMN1; SMN2
SCHEMBL5968252 0.71 KDM4E (0.46) HSD11B1KITKDM4EALDH1A1SMN1; SMN2
SCHEMBL651891 0.71 HTT (0.53) ALDH1A1SMN1; SMN2

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-1660064-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005020975-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed