SCHEMBL25629484

SCHEMBL25629484

N[C@@H](CCC(=O)NCCCNC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 8/20 0.42
FOLH1 Q04609 9/20 0.38
ALB P02768 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
OTC P00480 1/20 0.35

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
SCHEMBL25629482 0.88 OTC (0.43) FOLH1ALBALDH1A1OTC
SCHEMBL19135682 0.83 GLP1R (0.51) GLP1RTDP1OTC
SCHEMBL21316645 0.83 GLP1R (0.50) GLP1RFOLH1OTC
SCHEMBL20706160 0.81 GLP1R (0.49) GLP1RTDP1OTC
SCHEMBL22030229 0.81 GLP1R (0.57) GLP1R
SCHEMBL22026239 0.81 GLP1R (0.57) GLP1R
SCHEMBL18823051 0.80 GLP1R (0.48) GLP1RFOLH1OTC
SCHEMBL21316673 0.80 GLP1R (0.48) GLP1RFOLH1OTC
SCHEMBL19599351 0.79 GLP1R (0.42) GLP1ROTC
SCHEMBL19599417 0.79 GLP1R (0.42) GLP1ROTC

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
WO-2023111350-A2 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-06-22 WO disclosed