SCHEMBL17318367

SCHEMBL17318367

N#CC1CCN1CC(=O)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 8/20 0.45
▸ DPP4 P27487 3/20 0.42
▸ DPP8 Q6V1X1 3/20 0.42
▸ DPP7 Q9UHL4 3/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ CCR1 P32246 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ KCNJ2 P63252 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL17317738 0.87 KCNK3 (0.42) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317798 0.86 KCNK3 (0.43) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317576 0.86 KCNK3 (0.41) KCNK3DPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL17317782 0.84 KCNK3 (0.40) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17328137 0.84 KCNK3 (0.44) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317632 0.84 KCNK3 (0.44) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17328194 0.84 KCNK3 (0.44) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17328186 0.82 KCNK3 (0.44) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317696 0.82 KCNK3 (0.46) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317858 0.82 KCNK3 (0.50) KCNK3DPP4DPP8DPP7DPP9

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-3152206-A1 ATX MODULATING AGENTS Biogen MA Inc. (US) 2017-04-12 — — EP disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 — — WO disclosed
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