SCHEMBL31018319

SCHEMBL31018319

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)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 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 5/20 0.49
▸ NMUR2 Q9GZQ4 1/20 0.49
▸ NMUR1 Q9HB89 1/20 0.49
▸ F2R P25116 2/20 0.48
▸ CXCR4 P61073 1/20 0.48
▸ CALCR P30988 4/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ NTSR2 O95665 2/20 0.44
▸ NTSR1 P30989 2/20 0.44
▸ SORT1 Q99523 2/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ NPY5R Q15761 1/20 0.44

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
SCHEMBL31018315 0.99 NMUR2 (0.49) CAPN1NMUR2NMUR1F2RCXCR4
SCHEMBL31018310 0.97 CAPN1 (0.50) CAPN1NMUR2NMUR1F2RCXCR4
SCHEMBL31018335 0.94 CXCR4 (0.48) NMUR2NMUR1CXCR4CALCRMAPK8
SCHEMBL31018311 0.93 CXCR4 (0.47) NMUR2NMUR1F2RCXCR4CALCR
SCHEMBL31018333 0.92 CALCR (0.55) NMUR2NMUR1CALCRNTSR2NTSR1
SCHEMBL31018327 0.89 NTSR1 (0.56) NMUR2NMUR1NTSR2NTSR1SORT1
SCHEMBL29649236 0.86 CALCR (0.55) CAPN1CXCR4CALCRMAPK8MAPK9
SCHEMBL31018312 0.86 CALCR (0.55) CALCRNTSR2NTSR1SORT1NPY1R
SCHEMBL416858 0.86 NTSR2 (0.49) CAPN1F2RNTSR2NTSR1SORT1
SCHEMBL416859 0.86 NTSR2 (0.49) CAPN1F2RNTSR2NTSR1SORT1

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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