SCHEMBL13997348

SCHEMBL13997348

C[C@@H]1CCCN1C(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 1/20 0.46
ACHE P22303 1/20 0.44
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8288240 0.85 DPP4 (0.55) LMNASMN1; SMN2CYP2C19ALDH1A1L3MBTL1
SCHEMBL24322759 0.80 LMNA (0.62) LMNASMN1; SMN2KMT2AALDH1A1L3MBTL1
SCHEMBL16104919 0.78 LMNA (0.48) LMNASMN1; SMN2CYP2C19ACHEALDH1A1
SCHEMBL16104911 0.78 LMNA (0.48) LMNASMN1; SMN2CYP2C19ACHEALDH1A1
SCHEMBL16104916 0.77 HPGD (0.46) LMNASMN1; SMN2CYP2C19ACHEKMT2A
SCHEMBL13347236 0.77 DPP4 (0.53) LMNAALDH1A1NPC1
SCHEMBL26673580 0.76 ALDH1A1 (0.49) LMNASMN1; SMN2CYP2C19KMT2AALDH1A1
SCHEMBL17346 0.75 L3MBTL1 (0.51) LMNAACHEALDH1A1L3MBTL1TSHR
SCHEMBL24322557 0.74 ALDH1A1 (0.64) LMNAKMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL16426 0.74 L3MBTL1 (0.50) LMNAALDH1A1L3MBTL1TSHRGAA

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-1997533-A1 Heterocyclic boronic acid compounds, dipeptidyl peptidase IV inhibitors Phenomix Corporation (US) 2008-12-03 EP disclosed