SCHEMBL10903617

SCHEMBL10903617

CC(CC(=O)O)N(C(N)=O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 2/20 0.35
▸ CACNB3 P54284 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ CACNA2D2 Q9NY47 1/20 0.35
▸ BHMT Q93088 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ GABRR1 P24046 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ GABRP O00591 2/20 0.31
▸ GABRD O14764 2/20 0.31
▸ GABRA1 P14867 2/20 0.31
▸ GABRB1 P18505 2/20 0.31
▸ GABRG2 P18507 2/20 0.31

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
SCHEMBL10903600 0.81 SLC22A6 (0.33) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL10906199 0.76 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4SLC22A6
SCHEMBL10905759 0.75 FFAR3 (0.38) CHRNB2CHRNB4CHRNA4GABRPGABRD
SCHEMBL103866 0.72 — —
SCHEMBL105805 0.72 — —
Hydrochloric Acid SCHEMBL4578644 0.70 CHRNB2 (0.40) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL10903595 0.70 SLC7A5 (0.32) —
SCHEMBL22384141 0.69 SLC22A6 (0.38) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1144278 0.67 SLC22A6 (0.36) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29953499 0.67 SLC22A6 (0.36) CACNA2D1CACNB3CACNA1CPGRADRA1A

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-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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