SCHEMBL14078043

SCHEMBL14078043

CCCC(CCC)C(O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.45
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
KCNH2 Q12809 2/20 0.44
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43
NPC1 O15118 1/20 0.42
CYP17A1 P05093 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TBXAS1 P24557 1/20 0.40
AOC3 Q16853 1/20 0.40
KCNN4 O15554 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
SCHEMBL9630561 0.93 SMN1; SMN2 (0.51) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL14387788 0.86 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL9830214 0.82 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL906187 0.82 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL28994745 0.82 LMNA (0.47) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL20779411 0.79 L3MBTL1 (0.43) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL16919628 0.78 CFTR (0.48) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL659775 0.78 CFTR (0.53) SMN1; SMN2LMNAL3MBTL1SLC6A2SLC6A4
SCHEMBL9629718 0.77 L3MBTL1 (0.51) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL24919838 0.77 CFTR (0.47) SMN1; SMN2LMNAL3MBTL1GAASLC6A2

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
WO-2008108957-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2008-09-12 WO disclosed