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SCHEMBL29679646

SCHEMBL29679646

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.61
▸ NPY2R P49146 7/20 0.59
▸ NPY4R P50391 7/20 0.59
▸ NPY5R Q15761 7/20 0.59
▸ NPY1R P25929 5/20 0.59
▸ CALCR P30988 7/20 0.58
▸ RAMP3 O60896 3/20 0.57
▸ APLNR P35414 1/20 0.56

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
SCHEMBL29561573 0.91 CALCR (0.63) F2NPY2RNPY4RNPY5RNPY1R
Lusupultide SCHEMBL29359370 0.90 CALCR (0.59) F2CALCRAPLNR
SCHEMBL30741560 0.89 CALCR (0.61) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29702111 0.89 F2 (0.61) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29561308 0.89 CALCR (0.60) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29416142 0.89 CALCR (0.72) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182761 0.89 CALCR (0.67) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31683361 0.88 CALCR (0.60) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30495758 0.88 CALCR (0.72) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31303836 0.88 CALCR (0.64) F2NPY2RNPY4RNPY5RNPY1R

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-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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