SCHEMBL7683944

SCHEMBL7683944

COc1ccccc1C1CC(=O)c2c(C)ccnc2C1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.53
ADRA1A P35348 2/20 0.43
ADRA1D P25100 1/20 0.42

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
SCHEMBL7683162 0.85 HSP90AA1 (0.42)
Hydrochloric Acid SCHEMBL7686926 0.85 LMNA (0.41)
Hydrochloric Acid SCHEMBL27549202 0.84 ADRA1A (0.43) ADRA1AADRA1D
SCHEMBL7685366 0.83 LMNA (0.41)
SCHEMBL7689633 0.82 MAP1LC3B (0.51) MAP1LC3B
SCHEMBL6797519 0.82 TP53 (0.47)
SCHEMBL7680811 0.82
SCHEMBL7682930 0.82 MAPT (0.44)
SCHEMBL7681299 0.79 TP53 (0.43) MAP1LC3B
SCHEMBL1779006 0.78 HSP90AA1 (0.66) MAP1LC3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed