SCHEMBL18794830

SCHEMBL18794830

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
METAP2 P50579 1/20 0.33
GRIN2B Q13224 1/20 0.31
PDE7A Q13946 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL18794813 0.91 METAP2 (0.41) GRIN1GRIN2AMETAP2
SCHEMBL18822478 0.84 DRD2 (0.38) GRIN1GRIN2AGRIN2BSLC6A2SLC6A4
SCHEMBL18794831 0.84 DRD2 (0.38) GRIN1GRIN2AGRIN2BSLC6A2SLC6A4
SCHEMBL18822477 0.84 DRD2 (0.38) GRIN1GRIN2AGRIN2BSLC6A2SLC6A4
SCHEMBL18794833 0.82 METAP2 (0.38) GRIN1GRIN2AMETAP2GRIN2B
SCHEMBL18794816 0.80 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL18794865 0.78 SLC6A3 (0.46) GRIN1GRIN2ASLC6A2SLC6A4SLC6A3
SCHEMBL18794819 0.77 GRIN1 (0.51) GRIN1GRIN2AGRIN2B
SCHEMBL18794837 0.75 SLC6A9 (0.38) GRIN1GRIN2AGRIN2BSLC6A2SLC6A4
SCHEMBL18794821 0.75 P2RX7 (0.33) GRIN1GRIN2AGRIN2B

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