SCHEMBL30512500

SCHEMBL30512500

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.58
▸ CALCR P30988 5/20 0.56
▸ HCRTR1 O43613 1/20 0.54
▸ HCRTR2 O43614 1/20 0.54
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ C5AR1 P21730 1/20 0.51
▸ CXCR4 P61073 1/20 0.50
▸ GLP1R P43220 3/20 0.50
▸ CCKBR P32239 2/20 0.50
▸ NPY2R P49146 3/20 0.48
▸ NPY4R P50391 3/20 0.48
▸ NPY5R Q15761 3/20 0.48
▸ NPY1R P25929 2/20 0.48
▸ RAMP1 O60894 1/20 0.48
▸ RAMP2 O60895 1/20 0.48
▸ RAMP3 O60896 1/20 0.48
▸ CALCRL Q16602 1/20 0.48
▸ GCGR P47871 1/20 0.48
▸ GIPR P48546 1/20 0.48

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
SCHEMBL29794087 0.87 F2 (0.58) F2CALCRCRHR1CRHR2C5AR1
SCHEMBL31461961 0.86 F2 (0.64) F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30432386 0.86 F2 (0.62) F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL31454240 0.86 F2 (0.59) F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL29961384 0.85 CALCR (0.63) F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30495614 0.85 CRHR1 (0.67) F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL31182898 0.84 CALCR (0.61) F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30495820 0.84 CALCR (0.69) F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30495627 0.84 NPY2R (0.64) F2CALCRCXCR4NPY2RNPY4R
SCHEMBL31031522 0.84 CALCR (0.58) F2CALCRHCRTR1HCRTR2CRHR1

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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