SCHEMBL31018312

SCHEMBL31018312

C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.55
▸ OPRM1 P35372 4/20 0.51
▸ OPRD1 P41143 3/20 0.51
▸ OPRK1 P41145 2/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ CALCRL Q16602 1/20 0.50
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ NPY2R P49146 2/20 0.49
▸ NPY4R P50391 2/20 0.49
▸ NPY5R Q15761 2/20 0.49
▸ NPY1R P25929 1/20 0.49

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
SCHEMBL31018317 0.98 SLC6A2 (0.53) CALCROPRM1OPRD1OPRK1SLC6A2
SCHEMBL31018333 0.95 CALCR (0.55) CALCROPRM1OPRD1OPRK1NTSR2
SCHEMBL31018327 0.92 NTSR1 (0.56) OPRM1OPRD1OPRK1NTSR2NTSR1
SCHEMBL31018335 0.92 CXCR4 (0.48) CALCROPRM1OPRD1OPRK1CALCRL
SCHEMBL31018311 0.91 CXCR4 (0.47) CALCROPRM1OPRD1OPRK1CALCRL
SCHEMBL30233254 0.88 OPRD1 (0.61) CALCROPRM1OPRD1
SCHEMBL30753761 0.88 OPRD1 (0.61) CALCROPRM1OPRD1
SCHEMBL17742874 0.87 OPRM1 (0.51) CALCROPRM1OPRD1SLC6A2NTSR2
SCHEMBL30327395 0.86 SLC6A2 (0.55) CALCROPRM1OPRD1OPRK1SLC6A2
SCHEMBL31018319 0.86 CAPN1 (0.49) CALCRNTSR2NTSR1SORT1NPY2R

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-112891512-B Use of polypeptide compounds for preventing or treating liver fibrosis 清远市图微安创科技开发有限公司 2024-07-26 — — CN disclosed
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