SCHEMBL29581485

SCHEMBL29581485

CC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.64
▸ NPY4R P50391 8/20 0.64
▸ NPY5R Q15761 8/20 0.64
▸ NPY1R P25929 6/20 0.64
▸ TFPI P10646 5/20 0.64
▸ RAMP3 O60896 3/20 0.60
▸ CALCR P30988 3/20 0.60
▸ IL23R Q5VWK5 1/20 0.59
▸ KEAP1 Q14145 1/20 0.57

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
SCHEMBL29349985 0.97 TFPI (0.66) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495735 0.91 RAMP3 (0.67) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607473 0.89 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182450 0.88 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL23895420 0.88 OPRD1 (0.62) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30186407 0.88 EPHA2 (0.58) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30423064 0.87 KEAP1 (0.69) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30648456 0.87 OPRM1 (0.63) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31174222 0.87 NPY2R (0.57) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30495664 0.87 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RTFPI

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
EP-3983481-A1 DISSOLVABLE MICROCARRIERS FOR CULTURING CELLS AND RELATED METHODS Corning Incorporated (US) 2022-04-20 — — EP disclosed
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