SCHEMBL3709871

SCHEMBL3709871

CC(C)(C)OC(=O)N1CCN(Cc2ccnc3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.60
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
ACHE P22303 2/20 0.52
MAPT P10636 2/20 0.50
MPI P34949 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DTYMK P23919 2/20 0.47
CCNK O75909 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
GBA1 P04062 2/20 0.47

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
SCHEMBL3709485 0.90 FAAH (0.50) FAAHKDM4EALDH1A1NPSR1LMNA
SCHEMBL3715140 0.84 IDE (0.57) KDM4EALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL23293544 0.82 ACHE (0.60) FAAHKDM4EALDH1A1NPSR1LMNA
SCHEMBL2422976 0.82 PDGFRB (0.55) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL30422174 0.82 ACHE (0.60) FAAHKDM4EALDH1A1NPSR1LMNA
SCHEMBL16830462 0.82 ACHE (0.60) FAAHKDM4EALDH1A1NPSR1LMNA
SCHEMBL5383735 0.81 FAAH (0.73) FAAHKDM4EALDH1A1NPSR1LMNA
SCHEMBL5594397 0.81 MAPT (0.77) KDM4EALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL17447752 0.81 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL17826997 0.80 CHRM2 (0.50) KDM4EALDH1A1NPSR1LMNACHRM2

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
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 WO disclosed
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 WO disclosed