SCHEMBL21554937

SCHEMBL21554937

N[C@@H](CC1CC1)C(=O)NC(Cc1ccccc1)[C@H](O)C(=O)NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
BACE1 P56817 7/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
LTA4H P09960 1/20 0.41
CTSD P07339 4/20 0.41
BACE2 Q9Y5Z0 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CTSC P53634 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL21554938 1.00 TDP1 (0.44) TDP1ALDH1A1BACE1METAP2METAP1
SCHEMBL28519747 1.00 TDP1 (0.44) TDP1ALDH1A1BACE1METAP2METAP1
Hydrochloric Acid SCHEMBL21526213 0.99 TDP1 (0.43) TDP1ALDH1A1BACE1METAP2METAP1
Hydrochloric Acid SCHEMBL21526212 0.99 TDP1 (0.43) TDP1ALDH1A1BACE1METAP2METAP1
SCHEMBL21554931 0.87 CTSC (0.52) TDP1ALDH1A1BACE1CTSDBACE2
SCHEMBL21526206 0.86 ALDH1A1 (0.43) TDP1ALDH1A1BACE1LTA4HCTSD
SCHEMBL21526205 0.86 ALDH1A1 (0.43) TDP1ALDH1A1BACE1LTA4HCTSD
SCHEMBL21012397 0.85 SMN1; SMN2 (0.45) TDP1ALDH1A1BACE1LTA4HCTSD
SCHEMBL21555137 0.85 SMN1; SMN2 (0.45) TDP1ALDH1A1BACE1LTA4HCTSD
SCHEMBL23921537 0.84 LAP3 (0.46) TDP1ALDH1A1BACE1CTSDBACE2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788031-B1 DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF LANDSTEINER GENMED S L (ES) 2023-09-27 EP disclosed
EP-3564211-A1 DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF LANDSTEINER GENMED, S.L. (ES) 2019-11-06 EP disclosed