SCHEMBL21780436

SCHEMBL21780436

CC(F)CN1CCN2C(=O)c3cc(-c4ccc(C(C)(C)F)cc4)ccc3OC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.33
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
TIPARP Q7Z3E1 7/20 0.31
LTA4H P09960 2/20 0.30

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
SCHEMBL21780498 0.86 HRH3 (0.36) AXLSCN1ASCN4AKCNH2SCN5A
SCHEMBL14480859 0.86 HRH3 (0.36) AXLSCN1ASCN4AKCNH2SCN5A
SCHEMBL14480747 0.86 HRH3 (0.36) AXLSCN1ASCN4AKCNH2SCN5A
SCHEMBL14480898 0.82 HRH3 (0.37) AXLSCN1ASCN4AKCNH2SCN5A
SCHEMBL21780459 0.82 HRH3 (0.37) AXLSCN1ASCN4AKCNH2SCN5A
SCHEMBL14480767 0.82 HRH3 (0.37) AXLSCN1ASCN4AKCNH2SCN5A
SCHEMBL21780490 0.80 HRH3 (0.37) AXLSCN1ASCN4AKCNH2SCN5A
SCHEMBL14480765 0.80 HRH3 (0.37) AXLSCN1ASCN4AKCNH2SCN5A
SCHEMBL14480503 0.80 HRH3 (0.37) AXLSCN1ASCN4AKCNH2SCN5A
SCHEMBL21780418 0.78 HTR2A (0.41) AXLSCN1ASCN4AKCNH2SCN5A

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