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SCHEMBL30343041

SCHEMBL30343041

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.57
▸ CDK2 P24941 2/20 0.57
▸ CCNA1 P78396 2/20 0.57
▸ VIPR2 P41587 8/20 0.56
▸ VIPR1 P32241 7/20 0.54
▸ ESR1 P03372 1/20 0.48
▸ NPY2R P49146 5/20 0.48
▸ NPY4R P50391 5/20 0.48
▸ NPY5R Q15761 5/20 0.48
▸ NPY1R P25929 3/20 0.48
▸ PTH1R Q03431 1/20 0.48

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
SCHEMBL30023295 0.90 EGFR (0.52) NPY2RNPY4RNPY1R
SCHEMBL30831209 0.90 CCNA2 (0.54) CCNA2CDK2CCNA1VIPR2VIPR1
SCHEMBL29904521 0.87 EGFR (0.54) NPY2RNPY4RNPY1R
SCHEMBL29372126 0.86 CCNA2 (0.61) CCNA2CDK2CCNA1VIPR2VIPR1
SCHEMBL29933691 0.83 VIPR2 (0.61) CCNA2CDK2CCNA1VIPR2VIPR1
SCHEMBL30557738 0.82 VIPR1 (0.63) CCNA2CDK2CCNA1VIPR2VIPR1
SCHEMBL29359710 0.82 CCNA2 (0.59) CCNA2CDK2CCNA1NPY2R
SCHEMBL31332077 0.82 NR3C1 (0.60) VIPR2VIPR1PTH1R
SCHEMBL29542974 0.82 CCNA2 (0.57) CCNA2CDK2CCNA1VIPR2VIPR1
SCHEMBL29453953 0.81 CCNA2 (0.51) CCNA2CDK2CCNA1VIPR2VIPR1

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-120041570-A Application of CaMKII-alpha inhibitor in preparation of medicines for treating T cell lymphoma 太原理工大学 2025-05-27 — — CN disclosed
US-20240026458-A1 Method for Determining Sensitivity to an Antineoplastic Agent Université Libre de Bruxelles (BE) 2024-01-25 — — US disclosed
EP-4182479-A1 METHOD FOR DETERMINING SENSITIVITY TO AN ANTINEOPLASTIC AGENT Université Libre de Bruxelles (BE) 2023-05-24 — — EP disclosed
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