SCHEMBL25629482

SCHEMBL25629482

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.43
FOLH1 Q04609 10/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALB P02768 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GSR P00390 1/20 0.42
CYP1A2 P05177 1/20 0.42
GRIK1 P39086 1/20 0.42
GRM5 P41594 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIN1 Q05586 1/20 0.42

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
SCHEMBL10000704 0.89 OTC (0.49) OTCFOLH1SMN1; SMN2ALBGSR
SCHEMBL25629532 0.89 OTC (0.49) OTCFOLH1SMN1; SMN2ALBGSR
SCHEMBL25629484 0.88 GLP1R (0.42) OTCFOLH1ALBALDH1A1
SCHEMBL9728848 0.87 OTC (0.48) OTCFOLH1SMN1; SMN2GSRALDH1A1
SCHEMBL10000707 0.83 SIGMAR1 (0.48) OTCFOLH1SMN1; SMN2ALBALDH1A1
SCHEMBL27150498 0.82 ALB (0.59) OTCFOLH1ALBNOD1
SCHEMBL27150501 0.82 ALB (0.59) OTCFOLH1ALBNOD1
SCHEMBL20614501 0.81 FOLH1 (0.43) OTCFOLH1SMN1; SMN2ALBALDH1A1
SCHEMBL10000705 0.81 SIGMAR1 (0.45) OTCSMN1; SMN2ALDH1A1
SCHEMBL31429756 0.81 FOLH1 (0.43) OTCFOLH1SMN1; SMN2ALBALDH1A1

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