SCHEMBL20595763

SCHEMBL20595763

O=c1[nH]ccn1CC(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 11/20 0.39
▸ DBH P09172 4/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ GRIK5 Q16478 1/20 0.33
▸ PKM P14618 1/20 0.32

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
SCHEMBL3594632 0.71 — —
SCHEMBL4448355 0.68 — —
SCHEMBL30124775 0.67 — —
SCHEMBL175260 0.67 — —
SCHEMBL4101771 0.64 DBH (0.62) DBHKDM4ECYP1A2
SCHEMBL29499324 0.64 GRIA1 (0.64) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL1306115 0.62 PDE4B (0.32) PDE4B
SCHEMBL2114589 0.59 PTGS2 (0.33) —
SCHEMBL2540670 0.59 HTR2A (0.35) —
SCHEMBL9328848 0.58 — —

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-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 — — WO claimed
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