SCHEMBL17502318

SCHEMBL17502318

CC(F)(F)c1cc(-n2cc(Cn3ccnc3CCO)nn2)ccc1F.Cc1nccn1Cc1cn(-c2ccc(F)c(C(C)(F)F)c2)nn1

nearest known ligand 0.91

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 20/20 0.91

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
SCHEMBL17502282 0.95 KCNH2 (1.00) KCNH2
SCHEMBL17502277 0.91 KCNH2 (1.00) KCNH2
SCHEMBL17502254 0.80 KCNH2 (1.00) KCNH2
SCHEMBL17502310 0.79 KCNH2 (1.00) KCNH2
Hydrochloric Acid SCHEMBL21802309 0.79 KCNH2 (0.98) KCNH2
SCHEMBL17502274 0.77 KCNH2 (1.00) KCNH2
SCHEMBL17502262 0.76 KCNH2 (1.00) KCNH2
SCHEMBL17502209 0.76 KCNH2 (1.00) KCNH2
SCHEMBL19211436 0.76 RXRA (0.70) KCNH2
SCHEMBL17502333 0.75 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180329-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2017-06-21 — — EP disclosed
WO-2016025917-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-02-18 — — WO disclosed
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