SCHEMBL30980376

SCHEMBL30980376

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)CC)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ REN P00797 2/20 0.52
▸ NMUR2 Q9GZQ4 1/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NPY5R Q15761 1/20 0.52
▸ NTSR2 O95665 6/20 0.52
▸ NTSR1 P30989 6/20 0.52
▸ CALCR P30988 4/20 0.51
▸ SORT1 Q99523 4/20 0.51
▸ CALCRL Q16602 1/20 0.51
▸ SLC6A2 P23975 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49

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
SCHEMBL30571123 0.85 CALCRL (0.61) MAPK8MAPK9MAPK10RENCALCRL
SCHEMBL30395647 0.84 MAPK8 (0.55) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL29606783 0.84 SLC6A2 (0.63) RENNTSR2NTSR1SORT1SLC6A2
SCHEMBL31465645 0.84 SLC6A2 (0.55) MAPK8MAPK9MAPK10RENNTSR2
SCHEMBL29430201 0.84 F2 (0.57) MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL29710497 0.84 NTSR2 (0.57) MAPK8MAPK9MAPK10RENNPY1R
SCHEMBL30788025 0.83 CALCRL (0.61) RENCALCRLSLC6A2
SCHEMBL31125193 0.83 REN (0.58) RENNPY1RNPY2RNPY4RNPY5R
SCHEMBL30723558 0.83 REN (0.61) RENNPY1RNPY2RNPY4RNPY5R
SCHEMBL31679466 0.82 MAPK8 (0.57) MAPK8MAPK9MAPK10RENNMUR2

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
US-20240366738-A1 MOLECULAR VACCINES FOR INFECTIOUS DISEASE AGILENT TECHNOLOGIES INC (US) 2024-11-07 — — US disclosed
US-11992518-B2 Molecular vaccines for infectious disease AGILENT TECHNOLOGIES, INC. (US) 2024-05-28 — — US disclosed
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