SCHEMBL7933959

SCHEMBL7933959

CNC(=O)CCc1cc(NC(=O)c2ncc(Cl)cc2N)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.48
CYP2D6 P10635 1/20 0.42
BACE2 Q9Y5Z0 4/20 0.42
CTSD P07339 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
SCHEMBL7942653 0.83 BACE1 (0.46) BACE1BACE2
SCHEMBL7943969 0.82 PRKCI (0.47) BACE1BACE2
SCHEMBL16472030 0.79 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL7940427 0.79 SMN1; SMN2 (0.48) BACE1BACE2
SCHEMBL7942651 0.78 BACE1 (0.47) BACE1CYP2D6BACE2
SCHEMBL7945287 0.75 GRM4 (0.48) BACE1CYP2D6BACE2
SCHEMBL7942303 0.74 NPC1 (0.53)
SCHEMBL21442234 0.74 BACE1 (0.46) BACE1BACE2
SCHEMBL21442433 0.73 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL21442265 0.73 BACE1 (0.46) BACE1CYP2D6BACE2

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
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO disclosed