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SCHEMBL29680174

SCHEMBL29680174

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 6/20 0.52
▸ CALCR P30988 6/20 0.52
▸ OPRM1 P35372 6/20 0.52
▸ OPRK1 P41145 6/20 0.52
▸ NPY2R P49146 7/20 0.51
▸ NPY4R P50391 7/20 0.51
▸ NPY5R Q15761 7/20 0.51
▸ NPY1R P25929 5/20 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
SCHEMBL29679575 0.93 RAMP3 (0.52) RAMP3CALCROPRM1OPRK1
SCHEMBL29679604 0.90 RAMP3 (0.57) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31276526 0.89 RAMP3 (0.58) RAMP3CALCROPRM1OPRK1NPY2R
SCHEMBL30974402 0.89 NPY2R (0.55) RAMP3CALCROPRM1OPRK1NPY2R
SCHEMBL29680080 0.89 RAMP3 (0.56) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30571126 0.88 RAMP3 (0.54) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30429353 0.88 RAMP3 (0.56) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29680011 0.88 RAMP3 (0.56) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29839542 0.88 RAMP3 (0.57) RAMP3CALCROPRM1OPRK1
SCHEMBL29680195 0.87 RAMP3 (0.52) RAMP3CALCRNPY2RNPY4RNPY5R

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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