SCHEMBL16965652

SCHEMBL16965652

CCN(CC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 16/20 0.49
FAAH O00519 1/20 0.39
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL16894277 0.88 TRPA1 (0.46) TRPA1
SCHEMBL16965157 0.85 TRPA1 (0.55) TRPA1FAAH
SCHEMBL16894232 0.81 TRPA1 (0.50) TRPA1KDM1AHDAC1
SCHEMBL16894224 0.81 TRPA1 (0.52) TRPA1FAAHKDM1AHDAC1
SCHEMBL16894235 0.80 TRPA1 (0.65) TRPA1
SCHEMBL16894191 0.79 TRPA1 (0.47) TRPA1KDM1AHDAC1
SCHEMBL16894186 0.78 TRPA1 (0.49) TRPA1FAAHKDM1AHDAC1
SCHEMBL19917757 0.78 TRPA1 (0.54) TRPA1
SCHEMBL16965653 0.77 KMT2A (0.40) FAAH
SCHEMBL16894153 0.77 TRPA1 (0.67) TRPA1

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
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed