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SCHEMBL30405497

SCHEMBL30405497

CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 2/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.56
▸ IL23R Q5VWK5 12/20 0.56
▸ PTH1R Q03431 3/20 0.55
▸ CCKAR P32238 1/20 0.53
▸ CCKBR P32239 1/20 0.53

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
SCHEMBL29725771 0.96 GRPR (0.59) GRPRRXFP1IL23RPTH1R
SCHEMBL31504096 0.94 GRPR (0.59) GRPRRXFP1IL23RPTH1RCCKAR
SCHEMBL31174225 0.89 PTH1R (0.66) RXFP1IL23RPTH1RCCKBR
SCHEMBL29816188 0.87 IL23R (0.53) GRPRIL23R
SCHEMBL5509790 0.87 IL23R (0.59) RXFP1IL23RPTH1R
SCHEMBL5509799 0.87 IL23R (0.59) RXFP1IL23RPTH1R
SCHEMBL30198819 0.86 ACE (0.54) IL23R
SCHEMBL29895786 0.86 IL23R (0.52) IL23RCCKARCCKBR
SCHEMBL31694512 0.85 PTH1R (0.71) RXFP1IL23RPTH1RCCKBR
SCHEMBL30130531 0.85 IL23R (0.59) IL23R

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-114588277-B Construction method of polydopamine nano-particles loaded with temozolomide and Pep-1 江苏省苏北人民医院 2023-04-25 — — CN claimed
CN-114588277-B Construction method of polydopamine nano-particles loaded with temozolomide and Pep-1 江苏省苏北人民医院 2023-04-25 — — CN disclosed
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