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Sugi Predict / Compounds / SCHEMBL30607289

SCHEMBL30607289

SCHEMBL30607289

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.67
▸ NPY4R P50391 8/20 0.67
▸ NPY5R Q15761 8/20 0.67
▸ NPY1R P25929 6/20 0.67
▸ RAMP3 O60896 5/20 0.61
▸ CALCR P30988 5/20 0.61
▸ TFPI P10646 4/20 0.60
▸ EPHA2 P29317 2/20 0.59

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
SCHEMBL30607421 0.90 NPY2R (0.60) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30495594 0.90 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29531542 0.88 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30429119 0.88 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31034480 0.88 RAMP3 (0.63) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30607481 0.88 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30712935 0.88 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31688345 0.88 NMUR2 (0.64) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30262189 0.88 NPY2R (0.60) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30495757 0.87 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RRAMP3

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
US-12383505-B2 Nanoparticle for the remodeling of cancer-associated fibroblasts UNIVERSITY OF SOUTH CAROLINA (US) 2025-08-12 — — US disclosed
US-20230310331-A1 NANOPARTICLE FOR THE REMODELING OF CANCER-ASSOCIATED FIBROBLASTS UNIVERSITY OF SOUTH CAROLINA (US) 2023-10-05 — — US disclosed
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