SCHEMBL9334115

SCHEMBL9334115

NC(=O)C1=CN(CCN[C]=O)C=CC1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LDHA P00338 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
SCHEMBL444311 0.77 LDHA (0.36) LDHA
SCHEMBL28639430 0.75 CNR2 (0.36) LDHA
SCHEMBL677632 0.73 LDHA (0.37) LDHA
Caricotamide SCHEMBL6546956 0.73 LDHA (0.37) LDHA
SCHEMBL28661481 0.72 PTGS1 (0.37) LDHA
SCHEMBL23010949 0.70 LDHA (0.34) LDHA
SCHEMBL9334235 0.69
SCHEMBL2205423 0.68 ADRA1D (0.41)
SCHEMBL1274356 0.68 LDHA (0.36) LDHA
SCHEMBL9334241 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412699-B1 Nitrosothiol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-04-27 EP disclosed
US-5116861-A Treatment of Hypertension and Angina Pectoris TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-26 US disclosed
EP-0412699-A2 Nitrosothiol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-02-13 EP disclosed
US-4804665-A NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-02-14 US disclosed