SCHEMBL7430223

SCHEMBL7430223

CCN(CC)CCCNC(=O)C[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
LMNA P02545 1/20 0.58
APP P05067 3/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 2/20 0.44
MEN1 O00255 1/20 0.43
ACKR3 P25106 1/20 0.43

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
SCHEMBL7280848 0.90 LMNA (0.63) GAALMNAAPPKMT2AALDH1A1
SCHEMBL9556448 0.79 GAA (0.43) GAALMNAAPPKMT2AALDH1A1
SCHEMBL7430228 0.77 BCHE (0.44) GAALMNAHPGD
SCHEMBL7305185 0.75 KMT2A (0.47) LMNAKMT2AALDH1A1HPGDKDM4E
SCHEMBL7539920 0.74 KMT2A (0.47) GAALMNAKMT2AALDH1A1HPGD
SCHEMBL7539935 0.74 KMT2A (0.47) GAALMNAKMT2AALDH1A1HPGD
SCHEMBL14598352 0.74 LMNA (0.58) GAALMNAAPP
SCHEMBL12935849 0.73 GAA (0.48) GAALMNAKMT2AALDH1A1KDM4E
SCHEMBL127790 0.72 HPGD (0.60) GAALMNAKMT2AALDH1A1HPGD
SCHEMBL24486834 0.71 LMNA (0.64) GAALMNAAPPKMT2AALDH1A1

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-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed