SCHEMBL29981546

SCHEMBL29981546

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.53
▸ KISS1R Q969F8 13/20 0.53
▸ EDNRA P25101 1/20 0.49
▸ GHSR Q92847 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ CASP4 P49662 1/20 0.49
▸ CASP5 P51878 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ CASP9 P55211 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CASP10 Q92851 1/20 0.49
▸ GLP1R P43220 1/20 0.48

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
SCHEMBL29982709 1.00 MAGI3 (0.53) MAGI3KISS1REDNRAGHSRCASP1
SCHEMBL30261890 1.00 MAGI3 (0.53) MAGI3KISS1REDNRAGHSRCASP1
SCHEMBL30401759 0.86 KISS1R (0.61) KISS1RGLP1R
SCHEMBL29982283 0.86 KISS1R (0.62) KISS1R
SCHEMBL30401709 0.86 KISS1R (0.62) KISS1R
SCHEMBL30202389 0.85 KISS1R (0.53) MAGI3KISS1REDNRAGHSRCASP1
SCHEMBL29516468 0.84 EDNRA (0.61) MAGI3KISS1REDNRA
SCHEMBL30495707 0.84 CCKBR (0.59) KISS1RGLP1R
SCHEMBL30906347 0.84 GLP1R (0.56) KISS1RGLP1R
SCHEMBL29981946 0.84 KISS1R (0.59) KISS1RGLP1R

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
CN-115151556-A Human transferrin receptor binding peptides JCR制药股份有限公司 2022-10-04 — — CN claimed
CN-115151556-A Human transferrin receptor binding peptides JCR制药股份有限公司 2022-10-04 — — CN disclosed
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