SCHEMBL29769744

SCHEMBL29769744

C[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 6/20 0.54
▸ NMT2 O60551 5/20 0.54
▸ NOD1 Q9Y239 1/20 0.49
▸ TLR2 O60603 2/20 0.46
▸ SLC6A5 Q9Y345 1/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ OPRL1 P41146 2/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ TFPI P10646 1/20 0.39
▸ FURIN P09958 1/20 0.39

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
SCHEMBL10740541 0.93 NMT1 (0.50) NMT1NMT2NOD1TLR2OPRL1
SCHEMBL10740555 0.93 NMT1 (0.50) NMT1NMT2NOD1TLR2OPRL1
SCHEMBL30753565 0.92 NMT1 (0.54) NMT1NMT2NOD1TLR2SLC6A5
SCHEMBL30882784 0.89 NMT1 (0.49) NMT1NMT2TLR2OPRL1TFPI
SCHEMBL10745610 0.88 NMT1 (0.51) NMT1NMT2TLR2OPRL1GRIN2D
SCHEMBL10745622 0.88 NMT1 (0.51) NMT1NMT2TLR2OPRL1GRIN2D
SCHEMBL10646369 0.88 NOD1 (0.49) NMT1NMT2NOD1FOLH1
SCHEMBL10646360 0.88 NOD1 (0.49) NMT1NMT2NOD1FOLH1
SCHEMBL30423734 0.87 NMT1 (0.50) NMT1NMT2TLR2GRIN2DGRIN3B
SCHEMBL29625795 0.87 NOD1 (0.55) NMT1NMT2NOD1SLC6A5FOLH1

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-4284518-A1 FIBROBLAST ACTIVATION PROTEIN MODULATION TO ALTER IMMUNE CELL MIGRATION AND TUMOR INFILTRATION Georgetown University (US) 2023-12-06 — — EP disclosed
WO-2022165019-A1 FIBROBLAST ACTIVATION PROTEIN MODULATION TO ALTER IMMUNE CELL MIGRATION AND TUMOR INFILTRATION GEORGETOWN UNIVERSITY (US) 2022-08-04 — — WO disclosed
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