SCHEMBL21780459

SCHEMBL21780459

CCN1CCN2C(=O)c3cc(-c4ccc(C(F)(F)F)cc4)ccc3OCC2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
AXL P30530 2/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
SCN1A P35498 1/20 0.35
SCN4A P35499 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MCHR1 Q99705 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
TNIK Q9UKE5 1/20 0.33
CHKA P35790 1/20 0.33
P2RY14 Q15391 1/20 0.33

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
SCHEMBL14480767 1.00 HRH3 (0.37) HRH3AXLROCK2ROCK1SCN1A
SCHEMBL14480898 1.00 HRH3 (0.37) HRH3AXLROCK2ROCK1SCN1A
SCHEMBL14480503 0.90 HRH3 (0.37) HRH3AXLROCK2ROCK1SCN1A
SCHEMBL21780490 0.90 HRH3 (0.37) HRH3AXLROCK2ROCK1SCN1A
SCHEMBL14480765 0.90 HRH3 (0.37) HRH3AXLROCK2ROCK1SCN1A
SCHEMBL21780498 0.88 HRH3 (0.36) HRH3AXLROCK2ROCK1SCN1A
SCHEMBL14480747 0.88 HRH3 (0.36) HRH3AXLROCK2ROCK1SCN1A
SCHEMBL14480859 0.88 HRH3 (0.36) HRH3AXLROCK2ROCK1SCN1A
SCHEMBL21780418 0.88 HTR2A (0.41) HRH3AXLROCK2ROCK1SCN1A
SCHEMBL14481168 0.85 KCNH2 (0.49) HRH3ROCK2ROCK1SCN1ASCN4A

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-3101013-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-10-21 EP disclosed
EP-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed