Sugi Predict

Sugi Predict / Compounds / Ziconotide

Ziconotide

Ziconotide

SCHEMBL28142155

COC(F)(F)C(Cl)Cl.CSCCC1NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C2CSSCC3NC(=O)C(CO)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CSSCC(N)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)N2)NC(=O)C(CSSCC(C(N)=O)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC3=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC1=O

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1B

The experimentally established mechanism targets of Ziconotide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B known ✓ Q00975 1/20 0.89
▸ ELANE P08246 4/20 0.50
▸ CTSG P08311 2/20 0.49
▸ PLAU P00749 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGB1 P05556 1/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ ITGA5 P08648 1/20 0.47
▸ ITGB5 P18084 1/20 0.47
▸ KCNA3 P22001 1/20 0.47
▸ KCNA1 Q09470 1/20 0.47
▸ NPR1 P16066 1/20 0.46
▸ NPR3 P17342 1/20 0.46
▸ KDM4A O75164 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ GRB2 P62993 1/20 0.44
▸ EPHA2 P29317 2/20 0.44
▸ MC4R P32245 1/20 0.44
▸ MC3R P41968 1/20 0.44
▸ MC1R Q01726 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
Ziconotide SCHEMBL29369952 0.94 CACNA1B (1.00) CACNA1BELANECTSGPLAUITGB3
Ziconotide SCHEMBL676878 0.94 CACNA1B (1.00) CACNA1BELANECTSGPLAUITGB3
Ziconotide SCHEMBL29360120 0.87 CACNA1B (0.85) CACNA1BELANEPLAUITGB3SLC6A3
SCHEMBL29432871 0.85 CACNA1B (0.82) CACNA1BELANECTSGITGB3ITGB1
SCHEMBL29405845 0.85 CACNA1B (0.82) CACNA1BELANECTSGPLAUITGB3
Kalata B8 SCHEMBL30173419 0.78 CACNA1B (0.70) CACNA1BELANECTSGPLAUITGB3
SCHEMBL20910081 0.78 CACNA1B (0.69) CACNA1BELANECTSGPLAUKDM4A
SCHEMBL19232225 0.77 CACNA1B (0.68) CACNA1BELANECTSGPLAUKDM4A
SCHEMBL16976079 0.75 CACNA1B (0.64) CACNA1BELANECTSGPLAUITGB3
SCHEMBL19232199 0.75 CACNA1B (0.65) CACNA1BELANECTSGPLAUITGB3

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-103717597-B Heterocyclic compounds as kinase inhibitors 原真股份有限公司 2017-07-04 — — CN disclosed