SCHEMBL10903595

SCHEMBL10903595

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ ALOX5 P09917 1/20 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
SCHEMBL10905414 0.74 — —
SCHEMBL10903617 0.70 CACNA2D1 (0.35) —
SCHEMBL13105606 0.69 TP53 (0.50) SLC7A5TP53ALOX5
SCHEMBL13389913 0.69 TP53 (0.50) SLC7A5TP53ALOX5
SCHEMBL13545427 0.69 TP53 (0.50) SLC7A5TP53ALOX5
SCHEMBL812149 0.64 TP53 (0.57) SLC7A5TP53
SCHEMBL13310465 0.64 TP53 (0.57) SLC7A5TP53
SCHEMBL812166 0.64 TP53 (0.57) SLC7A5TP53
SCHEMBL83830 0.64 TP53 (0.57) SLC7A5TP53
SCHEMBL715386 0.64 TP53 (0.57) SLC7A5TP53

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
Send feedback