SCHEMBL12656309

SCHEMBL12656309

C[C@@H]1CC=CC2=C1CCCN2CC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Piracetam SCHEMBL6140872 0.65 TSHR (1.00) TSHRAPEX1BLMALDH1A1KMT2A
SCHEMBL718384 0.65 TSHR (0.66) TSHRAPEX1BLMKDM4EALDH1A1
Piracetam SCHEMBL20172 0.65 TSHR (1.00) TSHRAPEX1BLMALDH1A1KMT2A
Piracetam SCHEMBL28423013 0.63 TSHR (0.96) TSHRAPEX1BLMALDH1A1KMT2A
SCHEMBL2617910 0.63 TSHR (0.63) TSHRAPEX1BLMKDM4EMEN1
Piracetam SCHEMBL28029064 0.63 TSHR (0.86) TSHRAPEX1BLMALDH1A1KMT2A
SCHEMBL6386673 0.62 TSHR (0.67) TSHRAPEX1BLMKDM4EALDH1A1
SCHEMBL3715423 0.61 PIK3CD (0.53) TSHRAPEX1BLM
SCHEMBL24191960 0.60 PAX8 (0.31) APEX1BLM
SCHEMBL24263535 0.60 TSHR (0.89) TSHRAPEX1BLMALDH1A1KMT2A

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-2316829-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP disclosed