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SCHEMBL30657495

SCHEMBL30657495

CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C=O)CC(=O)O)C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.47
▸ CTSL P07711 3/20 0.45
▸ CTSS P25774 3/20 0.45
▸ CTSK P43235 3/20 0.45
▸ CTSH P09668 1/20 0.45
▸ CALCR P30988 6/20 0.45
▸ RAMP3 O60896 2/20 0.44
▸ NMBR P28336 2/20 0.43
▸ GRPR P30550 2/20 0.43
▸ REN P00797 1/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ TFPI P10646 1/20 0.42
▸ CALCRL Q16602 1/20 0.42

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
SCHEMBL30657490 0.91 CALCRL (0.43) F2CALCRRAMP3RENTFPI
SCHEMBL29726608 0.90 CALCRL (0.44) F2CALCRRAMP3RENTFPI
SCHEMBL30657491 0.86 F2 (0.42) F2CALCRRAMP3CALCRL
SCHEMBL30657497 0.85 CALCRL (0.44) RENCALCRL
SCHEMBL30657496 0.84 CALCRL (0.45) F2CALCRRAMP3CALCRL
SCHEMBL30657494 0.84 CALCRL (0.51) RENCALCRL
SCHEMBL31140791 0.83 CALCRL (0.46) F2CALCRRAMP3RENTFPI
SCHEMBL29726644 0.83 CALCRL (0.46) F2CALCRRAMP3RENTFPI
SCHEMBL31318919 0.80 CALCRL (0.46) F2CALCRRENCALCRL
SCHEMBL3253193 0.79 PTPN1 (0.43) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12133720-B2 Methods and compositions for restoring homeostatic capacity of a subject Palo Alto Investors LP (US) 2024-11-05 — — US disclosed
EP-4397770-A1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS PreAnalytiX GmbH (CH) 2024-07-10 — — EP disclosed
EP-3401406-B1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS PREANALYTIX GMBH (CH) 2023-11-29 — — EP disclosed
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