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SCHEMBL30350196

SCHEMBL30350196

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.60
▸ IL23R Q5VWK5 2/20 0.57
▸ GLP1R P43220 4/20 0.57
▸ GCGR P47871 1/20 0.57
▸ GIPR P48546 1/20 0.57
▸ ECE1 P42892 1/20 0.56
▸ MUS81 Q96NY9 1/20 0.56
▸ OPRM1 P35372 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ CCKBR P32239 1/20 0.54
▸ SCTR P47872 1/20 0.53
▸ VIPR1 P32241 1/20 0.53
▸ RAMP3 O60896 3/20 0.53
▸ CALCR P30988 3/20 0.53
▸ NPY4R P50391 3/20 0.53
▸ NPY1R P25929 2/20 0.53
▸ NPY2R P49146 2/20 0.53
▸ NPY5R Q15761 2/20 0.53
▸ PTH1R Q03431 1/20 0.52

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
SCHEMBL29640388 0.91 TFPI (0.65) TFPIGLP1RGCGRGIPRECE1
SCHEMBL30277897 0.90 TFPI (0.60) TFPIIL23RGLP1RGCGRGIPR
SCHEMBL30431813 0.89 TFPI (0.65) TFPIIL23RGLP1RGCGRGIPR
SCHEMBL30699435 0.89 TFPI (0.60) TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30432341 0.89 GLP1R (0.63) TFPIIL23RGLP1RGCGRGIPR
SCHEMBL30512540 0.89 TFPI (0.60) TFPIIL23RGLP1RGCGRGIPR
SCHEMBL31498888 0.88 TFPI (0.62) TFPIIL23RGLP1RGCGRGIPR
SCHEMBL30712906 0.88 VIPR2 (0.64) TFPIIL23RGLP1RGCGRGIPR
SCHEMBL15186066 0.88 GLP1R (0.63) TFPIIL23RGLP1RGCGRGIPR
SCHEMBL31672194 0.87 TFPI (0.58) TFPIGLP1RGCGRGIPROPRM1

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-115925960-A Antibody or antigen binding fragment capable of being specifically bound with creatine kinase isoenzyme and application thereof 杭州傲锐生物医药科技有限公司 2023-04-07 — — CN disclosed
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