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Sugi Predict / Compounds / SCHEMBL30097906

SCHEMBL30097906

SCHEMBL30097906

CC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.55
▸ RAMP1 O60894 1/20 0.52
▸ BACE1 P56817 11/20 0.49
▸ CTSD P07339 1/20 0.48
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ ACE P12821 1/20 0.47
▸ OPRD1 P41143 1/20 0.47

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
SCHEMBL30088927 0.97 BACE1 (0.55) CALCRLRAMP1BACE1CTSDBACE2
SCHEMBL29471358 0.95 CALCRL (0.54) CALCRLRAMP1BACE1CTSDBACE2
SCHEMBL29546599 0.94 CALCRL (0.53) CALCRLRAMP1BACE1CTSDBACE2
SCHEMBL29580071 0.90 CALCRL (0.61) CALCRLRAMP1BACE1OPRD1
SCHEMBL29579573 0.89 CALCRL (0.61) CALCRLRAMP1OPRD1
SCHEMBL30682547 0.88 OPRK1 (0.52) CALCRLACE
SCHEMBL29576682 0.87 CALCRL (0.57) CALCRLRAMP1ACE
SCHEMBL29579417 0.84 CALCRL (0.62) CALCRLRAMP1BACE1
SCHEMBL29579489 0.83 CALCRL (0.64) CALCRLRAMP1OPRD1
SCHEMBL29579716 0.83 CALCRL (0.61) CALCRLRAMP1OPRD1

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-115397460-A Methods of making cells expressing chimeric antigen receptors 诺华股份有限公司 2022-11-25 — — CN claimed
CN-115397460-A Methods of making cells expressing chimeric antigen receptors 诺华股份有限公司 2022-11-25 — — CN disclosed
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