SCHEMBL20170445

SCHEMBL20170445

CC(c1ccc(F)cc1)n1cncc1-c1cccc2c1CCN(S(=O)(=O)c1cnc(N3CCN4CCCC4C3)s1)C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
SCN9A Q15858 6/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
HTR6 P50406 1/20 0.31
USP9X Q93008 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
SCHEMBL20162455 0.90 SCN9A (0.31) SCN9A
SCHEMBL16718972 0.90 SCN9A (0.31) SCN9A
SCHEMBL20170477 0.85 SCN9A (0.31) ALOX5APFEN1SCN9ADRD2DRD3
SCHEMBL16730881 0.83 SCN9A (0.36) MEN1KMT2ASCN9A
SCHEMBL16730893 0.82 SCN9A (0.36) MEN1KMT2ASCN9A
SCHEMBL20170511 0.82 SCN9A (0.36) MEN1KMT2ASCN9A
SCHEMBL20170497 0.79 SCN9A (0.38) SCN9A
SCHEMBL16730885 0.79 SCN9A (0.38) SCN9A
SCHEMBL18430859 0.75 MEN1 (0.36) MEN1KMT2A
SCHEMBL16719019 0.75 SCN9A (0.31) SCN9A

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-3068391-B1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME (US) 2018-05-23 EP disclosed