SCHEMBL21802312

SCHEMBL21802312

Cc1nccn1CCc1cn(-c2cc(F)cc(C(F)F)c2)nn1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 20/20 0.80

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
SCHEMBL17502286 0.89 KCNH2 (1.00) KCNH2
SCHEMBL17502237 0.78 KCNH2 (1.00) KCNH2
SCHEMBL17502208 0.77 KCNH2 (1.00) KCNH2
SCHEMBL17502284 0.77 KCNH2 (1.00) KCNH2
SCHEMBL17502207 0.69 KCNH2 (1.00) KCNH2
SCHEMBL17502283 0.65 KCNH2 (1.00) KCNH2
Hydrochloric Acid SCHEMBL5780712 0.65 GRIN2B (0.66) KCNH2
SCHEMBL25165158 0.65 RXRA (0.56) KCNH2
SCHEMBL21802314 0.65 KCNH2 (0.49) KCNH2
SCHEMBL17502272 0.65 KCNH2 (1.00) KCNH2

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-3180329-B1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2020-03-18 — — EP disclosed
Send feedback