SCHEMBL31018333

SCHEMBL31018333

CC(C)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
▸ NTSR1 P30989 6/20 0.55
▸ NTSR2 O95665 5/20 0.55
▸ SORT1 Q99523 4/20 0.55
▸ NPY1R P25929 3/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ NMUR2 Q9GZQ4 1/20 0.53
▸ NMUR1 Q9HB89 1/20 0.53
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ OPRK1 P41145 1/20 0.52

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
SCHEMBL31018327 0.98 NTSR1 (0.56) NTSR1NTSR2SORT1NPY1RNPY2R
SCHEMBL31018312 0.95 CALCR (0.55) CALCRNTSR1NTSR2SORT1NPY1R
SCHEMBL31018317 0.92 SLC6A2 (0.53) CALCRNTSR1NTSR2SORT1OPRM1
SCHEMBL31018319 0.92 CAPN1 (0.49) CALCRNTSR1NTSR2SORT1NPY1R
SCHEMBL31018315 0.91 NMUR2 (0.49) CALCRNTSR1NTSR2SORT1NPY1R
SCHEMBL31473061 0.89 NTSR1 (0.52) NTSR1NTSR2SORT1NMUR2NMUR1
SCHEMBL31018310 0.89 CAPN1 (0.50) CALCRNTSR1NTSR2SORT1NMUR2
SCHEMBL31307249 0.88 SLC6A2 (0.66) NTSR1NTSR2SORT1OPRM1OPRD1
SCHEMBL31473060 0.88 NTSR1 (0.53) NTSR1NTSR2SORT1NMUR2NMUR1
SCHEMBL38665589 0.87 NMUR2 (0.61) NPY1RNMUR2NMUR1OPRM1OPRD1

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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