SCHEMBL7680946

SCHEMBL7680946

Cc1coc2c1C(=O)CC(c1ccccc1C(F)(F)F)C2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.40
RBP4 P02753 8/20 0.37
LMNA P02545 1/20 0.36
HTR2B P41595 1/20 0.35
TP53 P04637 3/20 0.34
MAPT P10636 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
SCHEMBL7690067 0.85 MAP1LC3B (0.38) HTR2CRBP4LMNAMAPT
SCHEMBL7681124 0.84 MAP1LC3B (0.42) HTR2CLMNAMAPT
SCHEMBL7683976 0.83 MAP1LC3B (0.41) LMNAMAPT
SCHEMBL7683611 0.81 MAP1LC3B (0.49) LMNA
SCHEMBL7689638 0.81 TP53 (0.48) LMNATP53MAPT
SCHEMBL7680888 0.79 MAP1LC3B (0.51) HTR2CLMNAMAPT
SCHEMBL7689655 0.78 MAP1LC3B (0.43) HTR2CRBP4LMNA
SCHEMBL7685368 0.77 LMNA (0.58) LMNATP53MAPT
SCHEMBL7683942 0.76 MAP1LC3B (0.44) HTR2CLMNAHTR2BTP53
Hydrochloric Acid SCHEMBL7683308 0.75 HTR2C (0.34) HTR2CRBP4HTR2B

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