SCHEMBL3436124

SCHEMBL3436124

Cn1nc(COC(C)(F)F)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.45
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ FEN1 P39748 1/20 0.34
▸ RBP4 P02753 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ SSTR4 P31391 1/20 0.33

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
SCHEMBL10202901 0.88 SLC16A3 (0.43) SLC16A3CNR1CNR2KDM4ES1PR1
SCHEMBL16215627 0.87 SLC16A3 (0.41) SLC16A3CNR1CNR2KDM4ES1PR1
SCHEMBL15677639 0.85 SLC16A3 (0.41) SLC16A3CNR1CNR2KDM4ES1PR1
SCHEMBL14678665 0.76 KDM4E (0.39) SLC16A3CNR1CNR2KDM4EFEN1
SCHEMBL8414862 0.75 CNR1 (0.48) CNR1CNR2KDM4ESMN1; SMN2
SCHEMBL14892448 0.74 KDM4E (0.41) SLC16A3CNR1CNR2KDM4EFEN1
SCHEMBL5009531 0.73 L3MBTL1 (0.45) CNR1CNR2KDM4EFEN1HTR2A
SCHEMBL29585194 0.73 KDM4E (0.41) CNR1CNR2KDM4EFEN1HTR2A
SCHEMBL17910321 0.73 KDM4E (0.41) CNR1CNR2KDM4EFEN1HTR2A
SCHEMBL1695382 0.73 CYP1A2 (0.43) SLC16A3CNR1CNR2KDM4EFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 — — EP disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 — — US disclosed
US-8754103-B2 — — 2014-06-17 — — US disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 — — WO disclosed
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