SCHEMBL30209624

SCHEMBL30209624

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ CALCR P30988 4/20 0.53
▸ GLP1R P43220 5/20 0.53
▸ SCTR P47872 1/20 0.53
▸ CRHR1 P34998 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ KISS1R Q969F8 3/20 0.52
▸ F2 P00734 4/20 0.51
▸ GCGR P47871 1/20 0.51
▸ TFPI P10646 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
SCHEMBL30668692 0.95 CRHR1 (0.55) OPRM1OPRD1OPRK1CALCRGLP1R
SCHEMBL29637838 0.94 GLP1R (0.58) OPRM1OPRD1OPRK1CALCRGLP1R
SCHEMBL29594112 0.94 GLP1R (0.58) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL30512688 0.91 TFPI (0.55) CALCRGLP1RSCTRCRHR1CRHR2
SCHEMBL30668655 0.91 GLP1R (0.51) OPRM1OPRD1OPRK1CALCRGLP1R
SCHEMBL31027924 0.90 GLP1R (0.60) GLP1RKISS1RGCGR
SCHEMBL30973951 0.90 GLP1R (0.53) OPRM1OPRD1OPRK1CALCRGLP1R
SCHEMBL31027931 0.89 GLP1R (0.59) GLP1RKISS1RGCGR
SCHEMBL29993692 0.89 OPRD1 (0.57) OPRM1OPRD1OPRK1GLP1RSCTR
SCHEMBL31005062 0.89 GLP1R (0.55) OPRM1OPRD1OPRK1CALCRGLP1R

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-114426581-B Enolase monoclonal antibody and preparation method and application thereof 陕西脉元生物科技有限公司 2023-02-03 — — CN disclosed
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