SCHEMBL30728878

SCHEMBL30728878

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ LAP3 P28838 2/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 1/20 0.40

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
SCHEMBL29442611 0.98 MME (0.41) MMELTA4HLAP3NPY1RNPY2R
SCHEMBL1666829 0.98 MME (0.44) MMELTA4HLAP3
SCHEMBL1666827 0.98 MME (0.44) MMELTA4HLAP3
SCHEMBL29531330 0.98 MME (0.44) MMELTA4HLAP3
SCHEMBL34470345 0.97 MME (0.42) MMELTA4HLAP3NPY1RNPY2R
Water SCHEMBL29559377 0.96 MME (0.44) MMELTA4HLAP3
SCHEMBL29531532 0.94 MME (0.41) MMELTA4HLAP3
SCHEMBL29886675 0.93 BACE1 (0.40) MMELTA4HNPY1RNPY2RNPY4R
SCHEMBL30973978 0.93 OPRM1 (0.42) MMELTA4HLAP3
SCHEMBL30495730 0.92 BACE1 (0.41) MMELTA4H

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
US-11851694-B1 High fidelity in vitro transcription MODERNATX, INC. (US) 2023-12-26 — — US disclosed
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