SCHEMBL21780441

SCHEMBL21780441

COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCN(CC(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
TACR3 P29371 1/20 0.45
SLC6A9 P48067 3/20 0.44
KCNK3 O14649 3/20 0.44
KCNK9 Q9NPC2 3/20 0.44
KCNH2 Q12809 1/20 0.43
SCN9A Q15858 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
GAA P10253 3/20 0.41
MGAM O43451 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL21780503 0.93 KCNK3 (0.43) LMNATSHRKCNK3KCNK9PIK3CA
SCHEMBL21780440 0.89 LMNA (0.48) LMNATSHRTACR3SLC6A9KCNK3
SCHEMBL21780479 0.88 LMNA (0.47) LMNATSHRTACR3SLC6A9KCNK3
SCHEMBL21780420 0.85 KMT2A (0.55) LMNATSHRTACR3SCN9AGAA
SCHEMBL21780486 0.83 PTGDR2 (0.47) LMNATSHRTACR3KCNK3KCNK9
SCHEMBL21780417 0.82 KCNH2 (0.49) LMNATSHRTACR3SLC6A9KCNH2
SCHEMBL21780432 0.82 TLR9 (0.43) LMNATSHRKCNK3KCNK9GAA
SCHEMBL21780474 0.82 GPR119 (0.51) LMNATSHRTACR3SLC6A9KCNH2
SCHEMBL21780426 0.78 KMT2A (0.53) LMNATSHRSCN9AGAAPOLB
SCHEMBL21780489 0.77 MCHR1 (0.52) LMNATSHRKCNH2SCN9AGAA

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