SCHEMBL20117423

SCHEMBL20117423

N=Cc1ccc(CNC(=O)[C@@H](N)CCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.51
MASP2 O00187 2/20 0.48
F2 P00734 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 2/20 0.42
SRC P12931 1/20 0.42
SLC1A1 P43005 1/20 0.41
MMP1 P03956 1/20 0.41
FCER2 P06734 1/20 0.41
EPHX1 P07099 1/20 0.41
KMT2A Q03164 1/20 0.41
LNPEP Q9UIQ6 2/20 0.41
MMP2 P08253 1/20 0.41
ERAP2 Q6P179 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
SCHEMBL18878625 0.86 SPHK1 (0.48) MMP8MASP2F2SPHK1ALDH1A1
SCHEMBL14628026 0.84 MMP8 (0.56) MMP8MASP2F2SPHK1ALDH1A1
SCHEMBL13418073 0.83 MMP8 (0.55) MMP8MASP2F2SPHK1ALDH1A1
Hydrochloric Acid SCHEMBL27450409 0.81 F2 (0.67) MMP8MASP2F2SPHK1
SCHEMBL21582601 0.80 ALDH1A1 (0.60) MMP8SPHK1ALDH1A1KMT2A
SCHEMBL17366111 0.80 MMP8 (0.51) MMP8MASP2F2SPHK1ALDH1A1
SCHEMBL5018826 0.79 SCN9A (0.57) MMP8MASP2F2SPHK1SMN1; SMN2
SCHEMBL12445594 0.79 LNPEP (0.61) MMP8MASP2F2SPHK1ALDH1A1
SCHEMBL24301429 0.77 SLC1A1 (0.47) MMP8SPHK1EGFRSRCSLC1A1
SCHEMBL5555507 0.76 SLC1A1 (0.57) MMP8SPHK1EGFRSRCSLC1A1

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-3160939-B1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE DSM IP ASSETS BV (NL) 2018-05-02 EP disclosed