SCHEMBL5264996

SCHEMBL5264996

O=C(O)N1CCC(Oc2ccc(OCCC3CCCCC3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.55
TEAD1 P28347 1/20 0.53
TEAD3 Q99594 1/20 0.53
KMT2A Q03164 1/20 0.47
NAMPT P43490 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL19610302 0.82 MAPT (0.48) TEAD1TEAD3KMT2AMAPTALDH1A1
SCHEMBL19610377 0.80 MAPT (0.45) KMT2AMAPTALDH1A1
SCHEMBL3830625 0.80 TEAD1 (0.73) TEAD1TEAD3KMT2AALDH1A1LMNA
SCHEMBL5208507 0.79 TEAD1 (0.57) TEAD1TEAD3KMT2AMAPTALDH1A1
SCHEMBL28064208 0.79 TEAD1 (0.57) TEAD1TEAD3KMT2AMAPTALDH1A1
SCHEMBL1532673 0.79 FAAH (0.54) NFE2L2TEAD1TEAD3KMT2ANAMPT
SCHEMBL13806522 0.78 NAMPT (0.46) NFE2L2NAMPT
SCHEMBL12509216 0.78 NAMPT (0.56) NAMPTALDH1A1
SCHEMBL28802165 0.77 TEAD1 (0.55) TEAD1TEAD3ALDH1A1
SCHEMBL23453708 0.77 NFE2L2 (0.53) NFE2L2TEAD1TEAD3

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-1849773-A1 PYRIDYL NON-AROMATIC NITROGENATED HETEROCYCLIC-1-CARBOXYLATE ESTER DERIVATIVE Astellas Pharma Inc. (JP) 2007-10-31 EP claimed