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Sugi Predict / Compounds / SCHEMBL30560006

SCHEMBL30560006

SCHEMBL30560006

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.71
▸ NMUR1 Q9HB89 5/20 0.71
▸ OPRM1 P35372 4/20 0.62
▸ OPRD1 P41143 4/20 0.62
▸ TFPI P10646 4/20 0.60
▸ RAMP3 O60896 1/20 0.59
▸ CALCR P30988 1/20 0.59
▸ MC4R P32245 1/20 0.58
▸ CXCR4 P61073 2/20 0.58
▸ KDM1A O60341 1/20 0.57
▸ KEAP1 Q14145 1/20 0.56

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
SCHEMBL30402818 0.92 NMUR2 (0.66) NMUR2NMUR1OPRM1OPRD1RAMP3
SCHEMBL31105502 0.91 NMUR2 (0.72) NMUR2NMUR1OPRM1OPRD1TFPI
SCHEMBL8718184 0.90 NMUR2 (0.62) NMUR2NMUR1OPRM1OPRD1RAMP3
SCHEMBL8718177 0.90 NMUR2 (0.62) NMUR2NMUR1OPRM1OPRD1RAMP3
SCHEMBL31121841 0.87 NMUR2 (0.68) NMUR2NMUR1TFPIRAMP3CALCR
SCHEMBL31187483 0.87 NMUR2 (0.63) NMUR2NMUR1OPRM1OPRD1
SCHEMBL29554996 0.87 NMUR2 (0.65) NMUR2NMUR1OPRM1OPRD1RAMP3
SCHEMBL30050976 0.87 OPRD1 (0.63) NMUR2NMUR1OPRM1OPRD1RAMP3
SCHEMBL29416002 0.86 NMUR2 (0.65) NMUR2NMUR1OPRM1OPRD1TFPI
SCHEMBL30527874 0.86 NMUR2 (0.65) NMUR2NMUR1OPRM1OPRD1TFPI

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693607-A Antibacterial polypeptide, application, bacterial growth inhibitor, anti-infective drug or health care product 中国科学院大连化学物理研究所 2023-09-05 — — CN claimed
CN-116693607-A Antibacterial polypeptide, application, bacterial growth inhibitor, anti-infective drug or health care product 中国科学院大连化学物理研究所 2023-09-05 — — CN disclosed
CN-116693607-A Antibacterial polypeptide, application, bacterial growth inhibitor, anti-infective drug or health care product 中国科学院大连化学物理研究所 2023-09-05 — — CN disclosed
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