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SCHEMBL30668692

SCHEMBL30668692

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ CALCR P30988 4/20 0.54
▸ GLP1R P43220 8/20 0.54
▸ SCTR P47872 1/20 0.54
▸ F2 P00734 4/20 0.52
▸ HCRTR1 O43613 1/20 0.51
▸ HCRTR2 O43614 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ GCGR P47871 1/20 0.50
▸ KISS1R Q969F8 1/20 0.50

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 0.95 OPRM1 (0.54) CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL29637838 0.91 GLP1R (0.58) CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL30668655 0.91 GLP1R (0.51) CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL29922493 0.91 GLP1R (0.57) CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL29594112 0.91 GLP1R (0.58) GLP1RSCTROPRM1OPRD1OPRK1
SCHEMBL30973951 0.89 GLP1R (0.53) CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL29364498 0.89 GLP1R (0.58) CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL29367867 0.89 GLP1R (0.58) CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL29367002 0.89 GLP1R (0.58) CRHR1CRHR2CALCRGLP1RSCTR
SCHEMBL29367449 0.89 GLP1R (0.58) CRHR1CRHR2CALCRGLP1RSCTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112794881-B Anti-liver cancer tridecapeptide NKSGTYSNDDLSH and preparation method thereof 黑龙江省科学院大庆分院 2023-10-31 — — CN claimed
CN-112794881-B Anti-liver cancer tridecapeptide NKSGTYSNDDLSH and preparation method thereof 黑龙江省科学院大庆分院 2023-10-31 — — CN disclosed
CN-112794881-B Anti-liver cancer tridecapeptide NKSGTYSNDDLSH and preparation method thereof 黑龙江省科学院大庆分院 2023-10-31 — — CN disclosed
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