SCHEMBL25811807

SCHEMBL25811807

CC(CC(=O)N[C@H](CN)C(N)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.39
MME P08473 2/20 0.39
NAALAD2 Q9Y3Q0 3/20 0.39
FOLH1 Q04609 2/20 0.39
NOD1 Q9Y239 1/20 0.37
ECE1 P42892 3/20 0.36
ACE P12821 1/20 0.33
MMP1 P03956 1/20 0.32
FCER2 P06734 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL19302558 0.89 GABRR1 (0.39) GABRR1MMENAALAD2FOLH1ECE1
SCHEMBL24753917 0.89 GABRR1 (0.39) GABRR1MMENAALAD2FOLH1ECE1
SCHEMBL24141307 0.89 GABRR1 (0.39) GABRR1MMENAALAD2FOLH1ECE1
SCHEMBL23346342 0.84 GABRR1 (0.38) GABRR1MMENAALAD2FOLH1ECE1
SCHEMBL22241557 0.83 ECE1 (0.39) MMENOD1ECE1MMP1FCER2
SCHEMBL25011832 0.81 NAALAD2 (0.40) GABRR1MMENAALAD2FOLH1ECE1
SCHEMBL19302568 0.76 ECE1 (0.35) GABRR1MMENAALAD2FOLH1NOD1
SCHEMBL24760234 0.74 FOLH1 (0.43) GABRR1MMENAALAD2FOLH1
SCHEMBL14355656 0.74 FOLH1 (0.43) GABRR1MMENAALAD2FOLH1
SCHEMBL10020473 0.74 CA2 (0.53) MMENAALAD2FOLH1CA2CA4

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-4212181-A2 METHYLENE CARBAMATE LINKERS FOR USE WITH TARGETED-DRUG CONJUGATES Seagen Inc. (US) 2023-07-19 EP disclosed