SCHEMBL28061549

SCHEMBL28061549

FC(F)(F)Oc1c[c]ccc1CCn1cccn1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.32
SLC6A3 Q01959 4/20 0.32
LMNA P02545 3/20 0.32
POLB P06746 1/20 0.32
SLC6A2 P23975 1/20 0.32
THRB P10828 1/20 0.32
IDO1 P14902 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KCNN3 Q9UGI6 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28061559 0.77 HTR2A (0.35) SLC6A3LMNASLC6A2THRBMEN1
SCHEMBL16951433 0.75 CTSS (0.34) DRD2SLC6A3SLC6A2
SCHEMBL27483390 0.73 TLR8 (0.36) LMNATHRB
SCHEMBL28061571 0.72 EPHX2 (0.30)
SCHEMBL27973483 0.72 DRD2 (0.31) DRD2SLC6A3SLC6A2
SCHEMBL3542512 0.72 EPHX2 (0.32)
SCHEMBL28061577 0.71 DRD2 (0.32) DRD2SLC6A3
SCHEMBL28793420 0.69
SCHEMBL21268313 0.69 EPHX2 (0.32)
SCHEMBL28061545 0.68

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
CN-105693645-A FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS 吉利德科学公司 2016-06-22 CN disclosed
CN-103649056-B Fused heterocyclic compounds as modulators of ion channels GILEAD SCIENCES, INC. (US) 2016-04-27 CN disclosed