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SCHEMBL29679783

SCHEMBL29679783

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.55
▸ NPY4R P50391 8/20 0.55
▸ NPY5R Q15761 8/20 0.55
▸ NPY1R P25929 6/20 0.55
▸ TFPI P10646 3/20 0.52
▸ OPRM1 P35372 3/20 0.51
▸ OPRK1 P41145 3/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ CALCR P30988 4/20 0.51
▸ KDM1A O60341 1/20 0.51

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
SCHEMBL29679694 0.99 NPY2R (0.55) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30429125 0.95 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29679700 0.94 CXCR4 (0.53) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30804661 0.92 NPY2R (0.61) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29680185 0.87 CALCRL (0.55) —
SCHEMBL30273396 0.86 NPY2R (0.58) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30406310 0.86 KDM1A (0.58) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30576916 0.85 NPY2R (0.55) NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30880907 0.85 NTSR1 (0.61) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30064503 0.84 OPRK1 (0.58) OPRM1OPRK1OPRD1

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO claimed
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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