SCHEMBL21780503

SCHEMBL21780503

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.43
KCNK9 Q9NPC2 4/20 0.43
LMNA P02545 4/20 0.41
TSHR P16473 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
CPS1 P31327 1/20 0.39

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
SCHEMBL21780441 0.93 LMNA (0.47) KCNK3KCNK9LMNATSHRPIK3CA
SCHEMBL21780432 0.89 TLR9 (0.43) KCNK3KCNK9LMNATSHRGAA
SCHEMBL21780426 0.86 KMT2A (0.53) LMNATSHRGAAPOLBHTT
SCHEMBL21780429 0.83 KCNK3 (0.46) KCNK3KCNK9LMNAPOLBHTT
SCHEMBL21780440 0.82 LMNA (0.48) KCNK3KCNK9LMNATSHRGAA
SCHEMBL21780479 0.81 LMNA (0.47) KCNK3KCNK9LMNATSHRPIK3CA
SCHEMBL21780420 0.78 KMT2A (0.55) LMNATSHRGAAPOLBHTT
SCHEMBL21780474 0.77 GPR119 (0.51) LMNATSHRPOLB
SCHEMBL21780486 0.76 PTGDR2 (0.47) KCNK3KCNK9LMNATSHRHTT
SCHEMBL21780417 0.75 KCNH2 (0.49) LMNATSHRGAAPKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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