SCHEMBL21780417

SCHEMBL21780417

COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
TACR3 P29371 1/20 0.46
SCN7A Q01118 1/20 0.45
SCN9A Q15858 1/20 0.45
CFTR P13569 2/20 0.44
LRRK2 Q5S007 1/20 0.43
GAA P10253 1/20 0.43
SLC6A9 P48067 1/20 0.42
KDM1A O60341 1/20 0.42
HPGD P15428 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL21780420 0.89 KMT2A (0.55) LMNATSHRTACR3SCN9AGAA
SCHEMBL21780440 0.84 LMNA (0.48) KCNH2LMNATSHRTACR3SCN9A
SCHEMBL21780479 0.83 LMNA (0.47) KCNH2LMNATSHRTACR3SCN7A
SCHEMBL21780474 0.83 GPR119 (0.51) KCNH2LMNATSHRTACR3SCN9A
SCHEMBL21780441 0.82 LMNA (0.47) KCNH2LMNATSHRTACR3SCN9A
SCHEMBL21780426 0.81 KMT2A (0.53) LMNATSHRSCN9AGAAHPGD
SCHEMBL21780489 0.80 MCHR1 (0.52) KCNH2LMNATSHRSCN9AGAA
SCHEMBL21780486 0.78 PTGDR2 (0.47) LMNATSHRTACR3MEN1KMT2A
SCHEMBL3992911 0.77 CFD (0.51) KDM1AHPGD
SCHEMBL21780432 0.76 TLR9 (0.43) LMNATSHRGAAHPGDKMT2A

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