SCHEMBL21780474

SCHEMBL21780474

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.51
MAPT P10636 1/20 0.50
CFTR P13569 1/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
P2RY14 Q15391 2/20 0.47
HDAC4 P56524 1/20 0.46
TACR3 P29371 1/20 0.46
POLB P06746 1/20 0.44
CRBN Q96SW2 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
SLC6A9 P48067 2/20 0.43
SMPD3 Q9NY59 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE11A Q9HCR9 1/20 0.42
PDE10A Q9Y233 1/20 0.42
KCNH2 Q12809 1/20 0.41
MEN1 O00255 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
SCHEMBL21780420 0.86 KMT2A (0.55) LMNATSHRTACR3POLBMEN1
SCHEMBL21780440 0.83 LMNA (0.48) LMNATSHRTACR3POLBSLC6A9
SCHEMBL21780417 0.83 KCNH2 (0.49) CFTRLMNATSHRTACR3SLC6A9
SCHEMBL21780479 0.83 LMNA (0.47) LMNATSHRTACR3POLBSLC6A9
SCHEMBL21780441 0.82 LMNA (0.47) LMNATSHRTACR3POLBSLC6A9
SCHEMBL21780426 0.81 KMT2A (0.53) LMNATSHRPOLBMEN1KMT2A
SCHEMBL21780432 0.78 TLR9 (0.43) LMNATSHRPOLBKMT2A
SCHEMBL21780486 0.78 PTGDR2 (0.47) LMNATSHRTACR3MEN1KMT2A
SCHEMBL21780489 0.77 MCHR1 (0.52) LMNATSHRKCNH2KMT2ASCN9A
SCHEMBL15566425 0.77 MEN1 (0.65) GPR119MAPTTSHRHDAC4MEN1

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