SCHEMBL1995214

SCHEMBL1995214

CC1CCN(Cc2ccccc2)CC1C(NC(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 3/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
BCHE P06276 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
BACE1 P56817 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
SCHEMBL4397747 0.85 SCN4A (0.49) SCN4AMEN1KMT2AACHEPOLB
SCHEMBL3524491 0.85 SCN4A (0.49) SCN4AMEN1KMT2AACHEPOLB
SCHEMBL3830601 0.80 S1PR5 (0.40) SCN4AALDH1A1
SCHEMBL1013388 0.78 S1PR1 (0.45) SCN4AALDH1A1
SCHEMBL5260659 0.78 DRD4 (0.46) SCN4AALDH1A1DRD2DRD4
SCHEMBL5256067 0.78 DRD4 (0.46) SCN4AALDH1A1DRD2DRD4
SCHEMBL12384460 0.76 ACHE (0.57) MEN1KMT2AACHEALDH1A1SIGMAR1
SCHEMBL9920488 0.76 ACHE (0.57) MEN1KMT2AACHEALDH1A1SIGMAR1
SCHEMBL9920183 0.76 ACHE (0.57) MEN1KMT2AACHEALDH1A1SIGMAR1
SCHEMBL2320052 0.75 ACHE (0.55) ACHEALDH1A1SIGMAR1BCHEDRD2

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-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP disclosed