SCHEMBL31683306

SCHEMBL31683306

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 1/20 0.57
▸ GCGR P47871 1/20 0.57
▸ GIPR P48546 1/20 0.57
▸ BACE1 P56817 3/20 0.56
▸ BACE2 Q9Y5Z0 2/20 0.56
▸ VIPR1 P32241 3/20 0.56
▸ VIPR2 P41587 5/20 0.55
▸ IL23R Q5VWK5 1/20 0.53
▸ CRHR1 P34998 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ KISS1R Q969F8 3/20 0.51
▸ TFPI P10646 1/20 0.51

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
SCHEMBL30428639 0.95 BACE1 (0.56) GLP1RGCGRGIPRBACE1BACE2
SCHEMBL30648478 0.95 GLP1R (0.57) GLP1RGCGRGIPRBACE1BACE2
SCHEMBL31182625 0.93 BACE1 (0.57) GLP1RGCGRGIPRBACE1BACE2
SCHEMBL38664549 0.93 GLP1R (0.52) GLP1RGCGRGIPRBACE1VIPR1
SCHEMBL30880910 0.92 BACE1 (0.55) GLP1RGCGRGIPRBACE1BACE2
SCHEMBL30880889 0.91 BACE1 (0.54) GLP1RGCGRGIPRBACE1BACE2
SCHEMBL31182595 0.91 GLP1R (0.68) GLP1RGCGRGIPRVIPR1VIPR2
SCHEMBL30320569 0.91 BACE1 (0.58) BACE1BACE2VIPR1VIPR2KISS1R
SCHEMBL31182459 0.91 GLP1R (0.56) GLP1RGCGRGIPRBACE1BACE2
SCHEMBL31182935 0.90 TFPI (0.62) GLP1RGCGRGIPRBACE1VIPR1

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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