SCHEMBL21780437

SCHEMBL21780437

CC(F)(F)c1cccc(-c2ccc3c(c2)OCCN(Cc2ncccn2)C3=O)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 9/20 0.60
▸ ROCK1 Q13464 9/20 0.60
▸ SCN1A P35498 1/20 0.58
▸ SCN4A P35499 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ SCN5A Q14524 1/20 0.58
▸ SCN9A Q15858 1/20 0.58
▸ SCN2A Q99250 1/20 0.58
▸ SCN3A Q9NY46 1/20 0.58
▸ SCN8A Q9UQD0 1/20 0.58
▸ SCN10A Q9Y5Y9 1/20 0.58
▸ TNIK Q9UKE5 10/20 0.52

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
SCHEMBL14480854 0.92 ROCK2 (0.70) ROCK2ROCK1SCN1ASCN4AKCNH2
SCHEMBL14480714 0.86 ROCK2 (0.69) ROCK2ROCK1SCN1ASCN4AKCNH2
SCHEMBL14480884 0.84 SCN1A (0.73) ROCK2ROCK1SCN1ASCN4AKCNH2
SCHEMBL14480851 0.83 ROCK2 (0.68) ROCK2ROCK1SCN1ASCN4AKCNH2
SCHEMBL14480581 0.82 SCN1A (0.85) ROCK2ROCK1SCN1ASCN4AKCNH2
SCHEMBL14480891 0.78 KCNH2 (0.77) ROCK2ROCK1SCN1ASCN4AKCNH2
SCHEMBL14480749 0.78 SCN1A (0.71) ROCK2ROCK1SCN1ASCN4AKCNH2
SCHEMBL14480701 0.77 SCN1A (0.68) ROCK2ROCK1SCN1ASCN4AKCNH2
SCHEMBL14480678 0.77 ROCK2 (0.67) ROCK2ROCK1SCN1ASCN4AKCNH2
SCHEMBL17014542 0.76 SCN1A (0.86) ROCK2ROCK1SCN1ASCN4AKCNH2

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-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 — — EP disclosed
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