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Sugi Predict / Compounds / SCHEMBL30739993

SCHEMBL30739993

SCHEMBL30739993

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.57
▸ KISS1R Q969F8 13/20 0.55
▸ GHSR Q92847 2/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPBWR1 P48145 2/20 0.54
▸ MMP1 P03956 1/20 0.53
▸ CXCR4 P61073 1/20 0.52

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
SCHEMBL29486225 0.97 GHSR (0.57) ERAP2KISS1RGHSRNPY2RNPBWR1
SCHEMBL31146271 0.95 ERAP2 (0.57) ERAP2KISS1RGHSRNPY2RNPBWR1
SCHEMBL30092942 0.93 NPBWR1 (0.57) ERAP2KISS1RGHSRNPBWR1CXCR4
SCHEMBL29939242 0.93 CXCR4 (0.59) KISS1RCXCR4
SCHEMBL30544320 0.92 ERAP2 (0.61) ERAP2KISS1RMMP1
SCHEMBL30586709 0.92 ERAP2 (0.63) ERAP2KISS1RMMP1
SCHEMBL31146245 0.91 ERAP2 (0.60) ERAP2KISS1RGHSRNPY2RNPBWR1
SCHEMBL30093020 0.91 NPBWR1 (0.56) ERAP2KISS1RGHSRNPY2RNPBWR1
SCHEMBL31593244 0.91 GHSR (0.51) ERAP2KISS1RGHSRNPY2R
SCHEMBL30402141 0.90 NPBWR1 (0.58) ERAP2KISS1RGHSRNPBWR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118267495-A HER 2-targeted rk polypeptide radiopharmaceuticals and preparation method thereof 广东瑞迪奥科技有限公司 2024-07-02 — — CN claimed
CN-110339375-B HER 2-targeted rk polypeptide radiopharmaceuticals and preparation method thereof 广东瑞迪奥科技有限公司 2024-02-02 — — CN claimed
CN-118267495-A HER 2-targeted rk polypeptide radiopharmaceuticals and preparation method thereof 广东瑞迪奥科技有限公司 2024-07-02 — — CN disclosed
CN-118267495-A HER 2-targeted rk polypeptide radiopharmaceuticals and preparation method thereof 广东瑞迪奥科技有限公司 2024-07-02 — — CN disclosed
CN-110339375-B HER 2-targeted rk polypeptide radiopharmaceuticals and preparation method thereof 广东瑞迪奥科技有限公司 2024-02-02 — — CN disclosed
CN-110339375-B HER 2-targeted rk polypeptide radiopharmaceuticals and preparation method thereof 广东瑞迪奥科技有限公司 2024-02-02 — — CN disclosed
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