SCHEMBL18794813

SCHEMBL18794813

O=C1NCCCCC1(F)c1cc(F)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.41
PGR P06401 4/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 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
SCHEMBL18794830 0.91 GRIN1 (0.33) METAP2GRIN1GRIN2A
SCHEMBL18794833 0.90 METAP2 (0.38) METAP2PGRGRIN1GRIN2A
SCHEMBL18822477 0.79 DRD2 (0.38) GRIN1GRIN2A
SCHEMBL18822478 0.79 DRD2 (0.38) GRIN1GRIN2A
SCHEMBL18794831 0.79 DRD2 (0.38) GRIN1GRIN2A
SCHEMBL18794837 0.77 SLC6A9 (0.38) GRIN1GRIN2A
SCHEMBL18794865 0.76 SLC6A3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18794816 0.75 SLC6A4 (0.42)
SCHEMBL18794819 0.72 GRIN1 (0.51) GRIN1GRIN2A
SCHEMBL18794821 0.70 P2RX7 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017070793-A1 NOVEL FLUORINATED HETEROCYCLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2017-05-04 WO claimed
WO-2017070793-A1 NOVEL FLUORINATED HETEROCYCLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2017-05-04 WO disclosed
WO-2017070793-A1 NOVEL FLUORINATED HETEROCYCLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2017-05-04 WO disclosed