SCHEMBL25439421

SCHEMBL25439421

CC(=O)NC(CSSCC(N)C(=O)O)C(=O)NC(C)C(=O)NC(C=O)CCC(N=C(N)N)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FURIN P09958 9/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ NRP1 O14786 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ EED O75530 1/20 0.35
▸ NPY1R P25929 3/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ NPY2R P49146 1/20 0.34
▸ NPY4R P50391 1/20 0.34

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
Etelcalcetide SCHEMBL29647613 0.87 SIRT5 (0.49) SIRT5FURINSIRT2NRP1CHRM2
Etelcalcetide SCHEMBL30221949 0.86 SIRT5 (0.48) SIRT5FURINSIRT2NRP1CHRM2
Etelcalcetide SCHEMBL22578460 0.80 SIRT5 (0.49) SIRT5FURINSIRT2NRP1NPY1R
Etelcalcetide SCHEMBL20869502 0.73 SIRT5 (0.44) SIRT5NPY1RNPY5RNPY2RNPY4R
Etelcalcetide SCHEMBL21982605 0.73 SIRT5 (0.44) SIRT5NPY1RNPY5RNPY2RNPY4R
Etelcalcetide SCHEMBL20869503 0.73 SIRT5 (0.44) SIRT5NPY1RNPY5RNPY2RNPY4R
Etelcalcetide SCHEMBL22578458 0.73 SIRT5 (0.43) SIRT5NPY1RNPY5RNPY2RNPY4R
Etelcalcetide SCHEMBL22578464 0.73 SIRT5 (0.43) SIRT5NPY1RNPY5RNPY2RNPY4R
Hydrochloric Acid SCHEMBL28425407 0.73 SIRT5 (0.43) SIRT5NPY1RNPY5RNPY2RNPY4R
SCHEMBL30080701 0.71 CHRM2 (0.58) SIRT5FURINSIRT2NRP1CHRM2

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
US-20230201313-A1 METHODS OF TREATING LEFT VENTRICLE HYPERTROPHY AMGEN INC. 2023-06-29 — — US disclosed
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