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SCHEMBL29949418

SCHEMBL29949418

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.64
▸ CRHR1 P34998 1/20 0.62
▸ CRHR2 Q13324 1/20 0.62
▸ PTH1R Q03431 4/20 0.59
▸ BACE1 P56817 1/20 0.57
▸ GLP1R P43220 5/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ CCKBR P32239 1/20 0.55
▸ F2 P00734 1/20 0.55

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
Magainin 2 SCHEMBL29357968 0.94 CALCR (0.63) CALCRCRHR1CRHR2PTH1RBACE1
SCHEMBL29633610 0.94 CALCR (0.63) CALCRCRHR1CRHR2PTH1RBACE1
SCHEMBL30436221 0.93 CALCR (0.67) CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL30658288 0.92 GLP1R (0.64) CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL30432434 0.92 CALCR (0.66) CALCRCRHR1CRHR2PTH1RBACE1
Magainin I SCHEMBL29392863 0.91 CALCR (0.59) CALCRCRHR1CRHR2PTH1RBACE1
SCHEMBL29649197 0.91 CALCR (0.60) CALCRCRHR1CRHR2GLP1RF2
SCHEMBL31303964 0.91 PTH1R (0.59) CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL30437143 0.91 BACE1 (0.64) CALCRPTH1RBACE1RXFP1
SCHEMBL29407403 0.90 PTH1R (0.59) CALCRCRHR1CRHR2PTH1RBACE1

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
CN-113308448-B Rice leaf color regulation gene WSS1 and encoding protein and application thereof 中国农业科学院作物科学研究所 2022-11-18 — — CN disclosed
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