SCHEMBL7689655

SCHEMBL7689655

O=C1CC(c2ccccc2Br)Cc2occ(C(F)(F)F)c21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.43
BRD4 O60885 1/20 0.37
LMNA P02545 1/20 0.32
HTR2C P28335 2/20 0.31
RBP4 P02753 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
SCHEMBL7690067 0.85 MAP1LC3B (0.38) MAP1LC3BLMNAHTR2CRBP4
SCHEMBL7686913 0.82 LMNA (0.48) MAP1LC3BLMNA
SCHEMBL7683611 0.81 MAP1LC3B (0.49) MAP1LC3BBRD4LMNA
SCHEMBL7680946 0.78 HTR2C (0.40) LMNAHTR2CRBP4
SCHEMBL7689364 0.77 MAPT (0.47) MAP1LC3BLMNA
SCHEMBL7687262 0.75 ALPL (0.43) MAP1LC3BLMNA
SCHEMBL7681124 0.68 MAP1LC3B (0.42) MAP1LC3BLMNAHTR2C
SCHEMBL7683976 0.68 MAP1LC3B (0.41) MAP1LC3BLMNA
SCHEMBL28571106 0.66 BRD4 (0.56) MAP1LC3BBRD4LMNAHTR2C
SCHEMBL657211 0.65 BRD4 (0.51) MAP1LC3BBRD4LMNAHTR2C

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