SCHEMBL22622500

SCHEMBL22622500

CCNC(=O)C(CC(C)C)NC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.46
CAPN1 P07384 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
BCHE P06276 1/20 0.37
FOLH1 Q04609 2/20 0.37
PLA2G2A P14555 2/20 0.37
PLA2G5 P39877 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL10046706 0.81 CACNA1B (0.55) CACNA1BCAPN1SCN9ACTSSCTSK
SCHEMBL13833235 0.80 MMP9 (0.51) CACNA1BALDH1A1MAPTMEN1LMNA
SCHEMBL12226978 0.80 MMP9 (0.51) CACNA1BALDH1A1MAPTMEN1LMNA
SCHEMBL12393791 0.80 MMP9 (0.51) CACNA1BALDH1A1MAPTMEN1LMNA
SCHEMBL22695678 0.80 CACNA1B (0.43) CACNA1BCAPN1ALDH1A1MAPTMEN1
SCHEMBL18966688 0.80 ANPEP (0.54) CACNA1BCAPN1LMNASCN9ACTSL
SCHEMBL23446448 0.79 CAPN1 (0.41) CAPN1ALDH1A1MAPTMEN1LMNA
SCHEMBL22193426 0.79 CACNA1B (0.43) CACNA1BCAPN1ALDH1A1MAPTMEN1
SCHEMBL22622527 0.79 CACNA1B (0.43) CACNA1BALDH1A1MAPTMEN1LMNA
SCHEMBL21949312 0.79 CAPN1 (0.41) CAPN1ALDH1A1MAPTMEN1LMNA

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-2964213-B1 USE OF AGONISTS OF FORMYL PEPTIDE RECEPTOR 2 FOR TREATING OCULAR INFLAMMATORY DISEASES ALLERGAN INC (US) 2020-11-04 EP disclosed