SCHEMBL30512569

SCHEMBL30512569

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.52
▸ GLP1R P43220 7/20 0.50
▸ CCKBR P32239 4/20 0.50
▸ CALCRL Q16602 2/20 0.50
▸ CRHR1 P34998 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ KRAS P01116 1/20 0.47
▸ REN P00797 1/20 0.47
▸ HCRTR1 O43613 1/20 0.47
▸ HCRTR2 O43614 1/20 0.47
▸ GCGR P47871 3/20 0.45
▸ MC4R P32245 1/20 0.45

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
SCHEMBL30974108 0.86 SLC6A2 (0.51) CALCRLRENMC4R
SCHEMBL30262163 0.84 CALCR (0.62) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL30974302 0.82 SLC6A2 (0.50) RENMC4R
SCHEMBL30432045 0.81 CALCR (0.65) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL31239711 0.80 SLC6A2 (0.51) CALCRLRENMC4R
SCHEMBL31483367 0.80 CAPN1 (0.46) CALCRCALCRLCRHR1CRHR2REN
SCHEMBL31688311 0.80 CALCR (0.59) CALCRCALCRLCRHR1CRHR2HCRTR1
SCHEMBL30414513 0.80 CALCR (0.59) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL30498899 0.79 SLC6A2 (0.42) CALCRLREN
SCHEMBL31488462 0.78 CALCRL (0.47) CALCRCALCRLREN

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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