Carnitine

Carnitine

SCHEMBL28276640

CC(O)CC(=O)O.C[N+](C)(C)CC(O)CC(=O)[O-].NCCCC(N)C(=O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A16 Q86VW1 1/20 0.51
▸ GSR P00390 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CPT2 P23786 1/20 0.42
▸ CPT1A P50416 1/20 0.42
▸ BHMT Q93088 1/20 0.37
▸ CYP1A2 P05177 3/20 0.33
▸ NOS3 P29474 3/20 0.33
▸ NOS1 P29475 3/20 0.33
▸ NOS2 P35228 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ CRAT P43155 1/20 0.33
▸ GRM8 O00222 1/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIK1 P39086 1/20 0.33

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
Carnitine SCHEMBL27486119 0.91 SLC22A16 (0.59) SLC22A16GSRMAPTCPT2CPT1A
Carnitine SCHEMBL9128766 0.88 GSR (0.59) SLC22A16GSRMAPTCPT2CPT1A
Levocarnitine SCHEMBL6553881 0.88 GSR (0.59) SLC22A16GSRMAPTCPT2CPT1A
Carnitine SCHEMBL9901519 0.88 GSR (0.59) SLC22A16GSRMAPTCPT2CPT1A
Ornithine SCHEMBL16097782 0.85 GSR (0.60) GSRBHMTCYP1A2NOS3NOS1
Ornithine Aketoglutarate SCHEMBL16097781 0.85 GSR (0.60) GSRBHMTCYP1A2NOS3NOS1
Carnitine SCHEMBL28275398 0.83 SLC22A16 (0.74) SLC22A16MAPTCPT2CPT1ACYP1A2
Arginine SCHEMBL28276672 0.83 SLC22A16 (0.43) SLC22A16MAPTCPT2CPT1ANOS3
Levocarnitine SCHEMBL5085308 0.82 SLC22A16 (0.67) SLC22A16MAPTCPT2CPT1ABHMT
Carnitine SCHEMBL28141776 0.82 SLC22A16 (0.67) SLC22A16MAPTCPT2CPT1ABHMT

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-109394745-A A kind of composition comprising L-carnitine and beta-hydroxy-butanoic acid compound 博瑞生物医药(苏州)股份有限公司 2019-03-01 — — CN disclosed
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