SCHEMBL21557712

SCHEMBL21557712

CC(/N=C(/N)CCC(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.43
BACE2 Q9Y5Z0 4/20 0.43

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
SCHEMBL17865208 0.85 BACE1 (0.41) BACE1BACE2
SCHEMBL10194102 0.74 SMN1; SMN2 (0.42) BACE1
SCHEMBL15279730 0.74 BACE1 (0.51) BACE1BACE2
SCHEMBL10194904 0.73 SMN1; SMN2 (0.42) BACE1BACE2
SCHEMBL10193857 0.73 BACE1 (0.51) BACE1BACE2
SCHEMBL10193152 0.72 BACE1 (0.50) BACE1BACE2
SCHEMBL16006914 0.72 BACE1 (0.44) BACE1BACE2
SCHEMBL10193244 0.70 BACE1 (0.53) BACE1BACE2
SCHEMBL10193828 0.70 SMN1; SMN2 (0.59) BACE1BACE2
SCHEMBL18517808 0.70 NPC1 (0.68) BACE1BACE2

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-3233834-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2019-11-13 EP disclosed