SCHEMBL30590781

SCHEMBL30590781

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 6/20 0.56
▸ ERAP1 Q9NZ08 4/20 0.54
▸ IL1RN P18510 4/20 0.54
▸ GHSR Q92847 7/20 0.54
▸ ECE1 P42892 5/20 0.53
▸ ANPEP P15144 1/20 0.51
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50

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
SCHEMBL30590798 1.00 ERAP2 (0.56) ERAP2ERAP1IL1RNGHSRECE1
SCHEMBL30259624 0.96 ERAP2 (0.58) ERAP2ERAP1IL1RNGHSRECE1
SCHEMBL30590790 0.95 ECE1 (0.53) ERAP2ERAP1IL1RNGHSRECE1
SCHEMBL29663506 0.92 GHSR (0.52) ERAP2ERAP1IL1RNGHSRECE1
SCHEMBL29666218 0.91 GHSR (0.55) GHSR
SCHEMBL31027915 0.91 KISS1R (0.55) GHSR
SCHEMBL29666286 0.90 GHSR (0.59) GHSR
SCHEMBL31232500 0.90 ERAP2 (0.63) ERAP2ERAP1IL1RNGHSRECE1
SCHEMBL29619338 0.90 GHSR (0.60) GHSR
SCHEMBL31473233 0.89 NPBWR1 (0.53) ERAP2GHSR

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-116874563-A PH responsive polypeptide with high transfection efficiency and application thereof 天津北洋康肽生物科技有限公司 2023-10-13 — — CN disclosed
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