Valine

Valine

SCHEMBL9205010

CC(C)[C@H](N)C(=O)O.O=S(=O)(O)Cl

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.71
SLC1A3 P43003 6/20 0.38
SLC1A2 P43004 6/20 0.38
SLC1A1 P43005 6/20 0.38
TP53 P04637 1/20 0.33
PMP22 Q01453 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
GRM5 P41594 4/20 0.32
GRM1 Q13255 2/20 0.32

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
Valine SCHEMBL2297541 0.93 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL7397892 0.91 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL27873291 0.90 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL247488 0.90 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL247489 0.90 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL28174037 0.88 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL28174038 0.88 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL17874440 0.88 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL28174036 0.88 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL9376703 0.88 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641345-A1 HYPOGLYCEMIC N-SULFONYL-TETRAHYDRO- 1,3]-DIOXEPINO 5,6-B]AZIRINES PLIVA Handels GmbH (DE) 1995-03-08 EP disclosed
US-5286744-A Hypoglycemic agents PLIVA HANDELS GMBH (DE) 1994-02-15 US disclosed
WO-1993004067-A1 HYPOGLYCEMIC N-SULFONYL-TETRAHYDRO-[1,3]-DIOXEPINO[5,6-B]AZIRINES PLIVA HANDELS GMBH (DE) 1993-03-04 WO disclosed
US-4235918-A SALIDIURETICS, TREATMENT OF HYPERTONIC CONDITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed
US-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed
US-4129656-A Thiazolidine derivatives, salidiuretic compositions and methods of effecting salidiuresis employing them HOECHST AKTIENGESELLSCHAFT (DE) 1978-12-12 US disclosed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed