SCHEMBL31683370

SCHEMBL31683370

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.70
▸ CRHR1 P34998 1/20 0.65
▸ CRHR2 Q13324 1/20 0.65
▸ HCRTR1 O43613 1/20 0.65
▸ HCRTR2 O43614 1/20 0.65
▸ F2 P00734 4/20 0.62
▸ NPY2R P49146 7/20 0.60
▸ NPY4R P50391 7/20 0.60
▸ NPY5R Q15761 7/20 0.60
▸ NPY1R P25929 5/20 0.60
▸ RAMP1 O60894 1/20 0.59
▸ RAMP2 O60895 1/20 0.59
▸ RAMP3 O60896 1/20 0.59
▸ CALCRL Q16602 1/20 0.59
▸ CCKBR P32239 1/20 0.59
▸ GLP1R P43220 1/20 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
SCHEMBL31688354 0.91 NTSR1 (0.61) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30726594 0.91 CALCR (0.73) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29884239 0.91 CALCR (0.69) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182527 0.90 CALCR (0.74) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30431785 0.90 CALCR (0.68) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30658230 0.90 CALCR (0.79) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30712965 0.90 CALCR (0.71) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30431912 0.90 CALCR (0.72) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182654 0.89 NPY2R (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30844080 0.89 CALCR (0.67) CALCRCRHR1CRHR2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250283037-A1 METHODS FOR STIMULATING AND TRANSDUCING T CELLS JUNO THERAPEUTICS GMBH (DE) 2025-09-11 — — US disclosed
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