SCHEMBL31683302

SCHEMBL31683302

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.66
▸ GLP1R P43220 9/20 0.60
▸ CRHR1 P34998 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ HCRTR1 O43613 1/20 0.60
▸ HCRTR2 O43614 1/20 0.60
▸ F2 P00734 2/20 0.60

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
SCHEMBL30176480 0.93 CALCR (0.63) CALCRGLP1RCRHR1CRHR2F2
SCHEMBL30576943 0.93 GLP1R (0.64) CALCRGLP1R
SCHEMBL29637838 0.92 GLP1R (0.58) CALCRGLP1RCRHR1CRHR2F2
SCHEMBL29967394 0.92 GLP1R (0.65) CALCRGLP1RCRHR1CRHR2F2
SCHEMBL30262038 0.92 F2 (0.62) CALCRGLP1RCRHR1CRHR2F2
SCHEMBL29903350 0.92 CALCR (0.63) CALCRGLP1RCRHR1CRHR2HCRTR1
SCHEMBL31454237 0.91 GLP1R (0.68) CALCRGLP1RCRHR1CRHR2
SCHEMBL30658361 0.91 CALCR (0.63) CALCRGLP1RCRHR1CRHR2
SCHEMBL30028870 0.91 GLP1R (0.60) CALCRGLP1R
SCHEMBL31000893 0.91 CALCR (0.67) CALCRGLP1RCRHR1CRHR2

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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