SCHEMBL30512688

SCHEMBL30512688

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.55
▸ F2 P00734 4/20 0.53
▸ GLP1R P43220 9/20 0.53
▸ SCTR P47872 1/20 0.53
▸ CALCR P30988 4/20 0.52
▸ C5AR1 P21730 1/20 0.50
▸ CRHR1 P34998 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49

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
SCHEMBL30209624 0.91 OPRM1 (0.54) TFPIF2GLP1RSCTRCALCR
SCHEMBL30277571 0.89 TFPI (0.58) TFPIGLP1RSCTRC5AR1
SCHEMBL30668692 0.88 CRHR1 (0.55) F2GLP1RSCTRCALCRCRHR1
SCHEMBL31033314 0.88 CALCR (0.53) TFPIF2GLP1RSCTRCALCR
SCHEMBL30175851 0.88 GLP1R (0.61) TFPIGLP1RSCTR
SCHEMBL29637838 0.87 GLP1R (0.58) TFPIF2GLP1RSCTRCALCR
SCHEMBL29594112 0.87 GLP1R (0.58) TFPIGLP1RSCTRC5AR1
SCHEMBL30974558 0.87 TFPI (0.54) TFPIGLP1RSCTRCALCRCRHR1
SCHEMBL31307293 0.86 TFPI (0.56) TFPIGLP1RSCTRCALCRCRHR1
SCHEMBL30974601 0.86 TFPI (0.56) TFPIGLP1RSCTRCALCRCRHR1

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
CN-116490215-A Targeted mediated endocytic drug delivery CRM医疗有限公司 2023-07-25 — — CN disclosed
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