SCHEMBL31018311

SCHEMBL31018311

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](CCCCN)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ CALCR P30988 4/20 0.45
▸ CALCRL Q16602 1/20 0.45
▸ NMUR2 Q9GZQ4 1/20 0.43
▸ NMUR1 Q9HB89 1/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ F2R P25116 2/20 0.42

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
SCHEMBL31018335 0.99 CXCR4 (0.48) CXCR4MAPK8MAPK9MAPK10CALCR
SCHEMBL31018315 0.94 NMUR2 (0.49) CXCR4MAPK8MAPK9MAPK10CALCR
SCHEMBL31018319 0.93 CAPN1 (0.49) CXCR4MAPK8MAPK9MAPK10CALCR
SCHEMBL31018310 0.91 CAPN1 (0.50) CXCR4MAPK8MAPK9MAPK10CALCR
SCHEMBL31018312 0.91 CALCR (0.55) CALCRCALCRLOPRM1OPRD1OPRK1
SCHEMBL30811213 0.89 NMUR2 (0.48) CXCR4NMUR2NMUR1OPRM1F2R
SCHEMBL31018317 0.89 SLC6A2 (0.53) MAPK8MAPK9MAPK10CALCRCALCRL
SCHEMBL31018333 0.85 CALCR (0.55) CALCRNMUR2NMUR1OPRM1OPRD1
SCHEMBL29649236 0.85 CALCR (0.55) CXCR4MAPK8MAPK9MAPK10CALCR
SCHEMBL32690479 0.84 F2 (0.47) NMUR2NMUR1OPRM1

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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