SCHEMBL21780440

SCHEMBL21780440

CCN1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
TACR3 P29371 1/20 0.46
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A9 P48067 3/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
SCN9A Q15858 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL21780432 0.92 TLR9 (0.43) LMNATSHRTLR9TLR8TLR7
SCHEMBL21780479 0.90 LMNA (0.47) LMNATSHRTACR3SLC6A9KCNK3
SCHEMBL21780441 0.89 LMNA (0.47) LMNATSHRTACR3SLC6A9KCNK3
SCHEMBL21780420 0.87 KMT2A (0.55) LMNATSHRTACR3POLBGAA
SCHEMBL21780486 0.85 PTGDR2 (0.47) LMNATSHRTACR3KCNK3KCNK9
SCHEMBL21780417 0.84 KCNH2 (0.49) LMNATSHRTACR3SLC6A9GAA
SCHEMBL21780474 0.83 GPR119 (0.51) LMNATSHRTACR3SLC6A9POLB
SCHEMBL21780503 0.82 KCNK3 (0.43) LMNATSHRKCNK3KCNK9POLB
SCHEMBL21780426 0.79 KMT2A (0.53) LMNATSHRPOLBGAASCN9A
SCHEMBL21780489 0.78 MCHR1 (0.52) LMNATSHRTDP1GAASCN9A

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