SCHEMBL21389120

SCHEMBL21389120

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(C)C)C(C)=O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 10/20 0.63
▸ GLP1R P43220 8/20 0.59
▸ EPHX2 P34913 1/20 0.53
▸ SLC6A5 Q9Y345 1/20 0.50

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
SCHEMBL26743907 0.94 NOD1 (0.67) NOD1GLP1REPHX2SLC6A5
SCHEMBL21389084 0.92 NOD1 (0.62) NOD1GLP1REPHX2SLC6A5
SCHEMBL21389122 0.92 NOD1 (0.62) NOD1GLP1REPHX2SLC6A5
SCHEMBL25715324 0.90 NOD1 (0.59) NOD1GLP1REPHX2SLC6A5
SCHEMBL21389121 0.89 CASP2 (0.53) NOD1GLP1REPHX2SLC6A5
SCHEMBL24494715 0.89 NOD1 (0.60) NOD1GLP1REPHX2SLC6A5
SCHEMBL26190934 0.89 NOD1 (0.66) NOD1GLP1REPHX2SLC6A5
SCHEMBL24796107 0.89 NOD1 (0.66) NOD1GLP1REPHX2SLC6A5
SCHEMBL7894607 0.89 NOD1 (0.66) NOD1GLP1REPHX2SLC6A5
SCHEMBL14852205 0.89 NOD1 (0.66) NOD1GLP1REPHX2SLC6A5

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-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 — — WO disclosed
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