SCHEMBL30358622

SCHEMBL30358622

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.61
▸ OPRM1 P35372 1/20 0.61
▸ OPRK1 P41145 1/20 0.61
▸ NPY1R P25929 3/20 0.60
▸ NPY2R P49146 1/20 0.60
▸ NPY4R P50391 1/20 0.60
▸ NPY5R Q15761 1/20 0.60
▸ APLNR P35414 1/20 0.57
▸ NTSR2 O95665 3/20 0.55
▸ NTSR1 P30989 3/20 0.55
▸ CAPN1 P07384 2/20 0.53
▸ SORT1 Q99523 2/20 0.53

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
SCHEMBL29367784 0.86 NTSR2 (0.62) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL30638358 0.82 GRB2 (0.58) OPRD1OPRM1OPRK1APLNRNTSR2
SCHEMBL5710757 0.81 NPY1R (0.56) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL5710761 0.81 NPY1R (0.56) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL30498025 0.80 OPRM1 (0.53) OPRD1OPRM1OPRK1NPY1R
SCHEMBL1247726 0.80 GRB2 (0.61) APLNRNTSR2NTSR1CAPN1
SCHEMBL29362706 0.80 GRB2 (0.67) APLNRNTSR2NTSR1CAPN1SORT1
SCHEMBL30498028 0.80 OPRM1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL31291033 0.79 NPY1R (0.60) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL29611384 0.78 NMUR2 (0.51) OPRD1OPRM1OPRK1APLNRCAPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240401076-A1 SELF-REPLICATING RNA MOLECULES AND APPLICATION THEREOF R&R THERAPEUTICS INC. (CN) 2024-12-05 — — US disclosed
CN-115960922-A Self-replicating RNA molecule design and uses thereof 吴可行 2023-04-14 — — CN disclosed
WO-2023056980-A1 DESIGN OF SELF-REPLICATING RNA MOLECULES AND APPLICATION THEREOF 吴可行 2023-04-13 — — WO disclosed
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