SCHEMBL30534201

SCHEMBL30534201

CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ NTSR1 P30989 3/20 0.44
▸ NTSR2 O95665 2/20 0.44
▸ NPY2R P49146 6/20 0.44
▸ NPY4R P50391 6/20 0.44
▸ NPY5R Q15761 6/20 0.44
▸ NPY1R P25929 4/20 0.44
▸ BDKRB2 P30411 1/20 0.44
▸ AGTR1 P30556 1/20 0.43
▸ C5AR1 P21730 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
SCHEMBL30733270 0.87 RAMP3 (0.52) NPY2RNPY4RNPY5RNPY1R
SCHEMBL30906441 0.85 NPY2R (0.56) NPY2RNPY4RNPY5RNPY1R
SCHEMBL30400638 0.85 NTSR1 (0.57) NTSR1NTSR2
SCHEMBL30400286 0.85 NTSR1 (0.53) NTSR1NTSR2NPY2RNPY4RNPY5R
SCHEMBL30974285 0.83 CAPN1 (0.45) OPRD1OPRM1NPY2RNPY4RNPY5R
SCHEMBL29695402 0.83 NPY2R (0.46) OPRD1OPRM1NPY2RNPY4RNPY5R
SCHEMBL30973966 0.82 CAPN1 (0.46) OPRD1OPRM1BDKRB2
SCHEMBL38662669 0.82 OPRD1 (0.47) OPRD1NTSR1NTSR2NPY2RNPY4R
SCHEMBL30930181 0.82 OPRM1 (0.43) OPRD1OPRM1NPY2RNPY4RNPY5R
SCHEMBL38660296 0.81 OPRM1 (0.53) OPRD1OPRM1NTSR1NTSR2

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-2023154906-A1 COMBINATION THERAPY WITH SEMAPHORIN-4D BLOCKADE AND HTT-LOWERING AGENT FOR TREATMENT OF HUNTINGTON'S DISEASE VACCINEX, INC. (US) 2023-08-17 — — WO disclosed
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