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SCHEMBL30872190

SCHEMBL30872190

CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)C(CC(C)C)NC(=O)[C@@H](NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)C(N)CC(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(C)C)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 3/20 0.64
▸ RAMP3 O60896 6/20 0.62
▸ CALCR P30988 6/20 0.62
▸ TFPI P10646 4/20 0.62
▸ NPY2R P49146 7/20 0.61
▸ NPY4R P50391 7/20 0.61
▸ NPY5R Q15761 7/20 0.61
▸ NPY1R P25929 5/20 0.61

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
SCHEMBL29614957 0.96 TFPI (0.63) CXCR4RAMP3CALCRTFPINPY2R
SCHEMBL30364495 0.93 TFPI (0.68) CXCR4RAMP3CALCRTFPINPY2R
SCHEMBL31418387 0.88 TFPI (0.63) CXCR4RAMP3CALCRTFPINPY2R
SCHEMBL29615082 0.84 CALCR (0.61) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30300729 0.83 REN (0.63) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30432005 0.83 CALCR (0.62) CALCRTFPINPY2RNPY4RNPY5R
Melectin SCHEMBL30448502 0.83 REN (0.62) TFPI
SCHEMBL8973220 0.82 CALCR (0.57) CXCR4CALCRTFPINPY2RNPY4R
SCHEMBL30679464 0.82 CALCR (0.63) CXCR4CALCR
SCHEMBL30497011 0.82 OPRD1 (0.67) CALCRTFPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059926-A Heterocyclic degradation determinants for target protein degradation C4医药公司 2026-05-19 — — CN disclosed
CN-121910847-A Use of caerin 1.1.1/1.9 and polymyxin B composition in preparation of anti-Acinetobacter baumannii medicine 中奥生物医药技术(广东)有限公司 2026-04-24 — — CN disclosed
CN-121910847-A Use of caerin 1.1.1/1.9 and polymyxin B composition in preparation of anti-Acinetobacter baumannii medicine 中奥生物医药技术(广东)有限公司 2026-04-24 — — CN disclosed
CN-121796558-A Caerin 1.1.1/1.9 application in preparing antiviral drug 中奥生物医药技术(广东)有限公司 2026-04-07 — — CN disclosed
CN-121796558-A Caerin 1.1.1/1.9 application in preparing antiviral drug 中奥生物医药技术(广东)有限公司 2026-04-07 — — CN disclosed
CN-118812656-B Iodine-131 marked small molecular polypeptide TCMP-Y1 and preparation method and application thereof 广州港湾医疗器械有限公司 2025-03-04 — — CN disclosed
CN-118812656-A Iodine-131 marked small molecular polypeptide TCMP-Y1 and preparation method and application thereof 广州港湾医疗器械有限公司 2024-10-22 — — CN disclosed
CN-118440096-A Degradation stator and degradation determinant for N/O-ligation of protein degradation C4医药公司 2024-08-06 — — CN disclosed
CN-117866069-B Iodine-131 marked small molecule polypeptide TFMP-Y4 and preparation method and application thereof 广州港湾医疗器械有限公司 2024-07-19 — — CN disclosed
CN-117866069-B Iodine-131 marked small molecule polypeptide TFMP-Y4 and preparation method and application thereof 广州港湾医疗器械有限公司 2024-07-19 — — CN disclosed
CN-117982626-A Application of F1/F3 polypeptide in preparation of medicines for inducing tumor cell apoptosis 中奥生物医药技术(广东)有限公司 2024-05-07 — — CN disclosed
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