SCHEMBL21554929

SCHEMBL21554929

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 3/20 0.56
ANPEP P15144 1/20 0.56
RNPEP Q9H4A4 1/20 0.56
DNPEP Q9ULA0 1/20 0.56
TDP1 Q9NUW8 1/20 0.50
METAP2 P50579 3/20 0.48
LTA4H P09960 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC15A1 P46059 1/20 0.46
ALDH1A1 P00352 1/20 0.45
METAP1 P53582 2/20 0.45
EPHX2 P34913 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL10085519 1.00 LAP3 (0.56) LAP3ANPEPRNPEPDNPEPTDP1
SCHEMBL20027600 1.00 LAP3 (0.56) LAP3ANPEPRNPEPDNPEPTDP1
Hydrochloric Acid SCHEMBL3841624 0.99 LAP3 (0.54) LAP3ANPEPRNPEPDNPEPTDP1
Hydrochloric Acid SCHEMBL289721 0.99 LAP3 (0.54) LAP3ANPEPRNPEPDNPEPTDP1
Hydrochloric Acid SCHEMBL288950 0.99 LAP3 (0.54) LAP3ANPEPRNPEPDNPEPTDP1
SCHEMBL8001760 0.94 TDP1 (0.57) LAP3ANPEPRNPEPDNPEPTDP1
SCHEMBL8001145 0.94 TDP1 (0.54) LAP3ANPEPRNPEPDNPEPTDP1
SCHEMBL5718258 0.93 TDP1 (0.60) LAP3ANPEPRNPEPDNPEPTDP1
Hydrochloric Acid SCHEMBL4394524 0.93 TDP1 (0.53) LAP3ANPEPRNPEPDNPEPTDP1
Hydrochloric Acid SCHEMBL17596474 0.92 TDP1 (0.58) LAP3ANPEPRNPEPDNPEPTDP1

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