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Sugi Predict / Compounds / SCHEMBL31664360

SCHEMBL31664360

SCHEMBL31664360

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.66
▸ CRHR1 P34998 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ F2 P00734 4/20 0.57
▸ CCKBR P32239 2/20 0.57
▸ GLP1R P43220 2/20 0.57
▸ C5AR1 P21730 1/20 0.56
▸ NPY2R P49146 5/20 0.56
▸ NPY4R P50391 5/20 0.56
▸ NPY5R Q15761 5/20 0.56
▸ NPY1R P25929 3/20 0.56
▸ HCRTR1 O43613 1/20 0.56
▸ HCRTR2 O43614 1/20 0.56

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
SCHEMBL31664366 0.98 CALCR (0.66) CALCRCRHR1CRHR2F2CCKBR
SCHEMBL31683309 0.96 CALCR (0.65) CALCRCRHR1CRHR2F2CCKBR
SCHEMBL30974276 0.91 F2 (0.61) CALCRCRHR1CRHR2F2C5AR1
SCHEMBL30974096 0.90 CALCR (0.62) CALCRCRHR1CRHR2F2CCKBR
SCHEMBL30423278 0.90 CALCR (0.62) CALCRCRHR1CRHR2F2CCKBR
SCHEMBL31182860 0.89 CALCR (0.77) CALCRCRHR1CRHR2F2CCKBR
SCHEMBL30495705 0.89 CALCR (0.69) CALCRCRHR1CRHR2F2CCKBR
SCHEMBL30432929 0.89 CALCR (0.62) CALCRCRHR1CRHR2F2CCKBR
SCHEMBL30576894 0.89 CALCR (0.69) CALCRCRHR1CRHR2F2CCKBR
SCHEMBL30432400 0.88 CALCR (0.70) CALCRCRHR1CRHR2F2CCKBR

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-12522660-B2 Methods for selection and stimulation of cells and apparatus for same C3S2 GMBH (DE) 2026-01-13 — — US disclosed
US-20250283037-A1 METHODS FOR STIMULATING AND TRANSDUCING T CELLS JUNO THERAPEUTICS GMBH (DE) 2025-09-11 — — US disclosed
US-20250237628-A1 CELL SELECTION AND/OR STIMULATION DEVICES AND METHODS OF USE JUNO THERAPEUTICS GMBH (DE) 2025-07-24 — — US disclosed
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