SCHEMBL29740183

SCHEMBL29740183

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.45
▸ NMUR2 Q9GZQ4 2/20 0.43
▸ NMUR1 Q9HB89 1/20 0.43
▸ CALCRL Q16602 5/20 0.43
▸ KEAP1 Q14145 7/20 0.41
▸ RAMP1 O60894 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ CTSD P07339 1/20 0.39
▸ CTSE P14091 1/20 0.39

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
SCHEMBL30493569 0.80 NMUR2 (0.40) NMUR2NMUR1CALCRLRAMP1
SCHEMBL30296952 0.80 APLNR (0.44) APLNRNMUR2NMUR1CALCRLOPRM1
SCHEMBL31497369 0.80 KEAP1 (0.48) NMUR2NMUR1CALCRLKEAP1PRMT5
SCHEMBL30493590 0.79 NMUR2 (0.39) APLNRNMUR2NMUR1OPRK1
SCHEMBL30493500 0.79 NMUR2 (0.41) NMUR2NMUR1CALCRLRAMP1OPRM1
SCHEMBL30065432 0.77 APLNR (0.49) APLNROPRM1OPRK1
SCHEMBL31497340 0.77 KEAP1 (0.54) NMUR2NMUR1CALCRLKEAP1PRMT5
SCHEMBL31497333 0.77 CALCRL (0.52) CALCRLKEAP1PRMT5WDR77
SCHEMBL31497348 0.77 CALCRL (0.50) NMUR2NMUR1CALCRLKEAP1PRMT5
SCHEMBL30933107 0.77 APLNR (0.51) APLNROPRM1OPRD1OPRK1

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-114767881-A Preparation and application of tumor microenvironment response type diagnosis and treatment integrated nanoprobe 山西医科大学 2022-07-22 — — CN claimed
CN-114767881-A Preparation and application of tumor microenvironment response type diagnosis and treatment integrated nanoprobe 山西医科大学 2022-07-22 — — CN disclosed
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