SCHEMBL17328196

SCHEMBL17328196

CC(=O)[C@H]1CC[C@@H](CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 10/20 0.49
▸ ENPP2 Q13822 5/20 0.45
▸ DPP4 P27487 2/20 0.42
▸ DPP8 Q6V1X1 2/20 0.42
▸ DPP7 Q9UHL4 2/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37

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
SCHEMBL17328158 0.92 ENPP2 (0.50) KCNK3ENPP2DPP4DPP8DPP7
SCHEMBL17317759 0.92 ENPP2 (0.50) KCNK3ENPP2DPP4DPP8DPP7
SCHEMBL17317601 0.92 ENPP2 (0.50) KCNK3ENPP2DPP4DPP8DPP7
SCHEMBL17328136 0.91 KCNK3 (0.45) KCNK3ENPP2DPP4DPP8DPP7
SCHEMBL17328192 0.91 KCNK3 (0.45) KCNK3ENPP2DPP4DPP8DPP7
SCHEMBL17317490 0.91 KCNK3 (0.45) KCNK3ENPP2DPP4DPP8DPP7
SCHEMBL17328080 0.90 ENPP2 (0.47) KCNK3ENPP2DPP4DPP8DPP7
SCHEMBL17328165 0.90 ENPP2 (0.47) KCNK3ENPP2DPP4DPP8DPP7
SCHEMBL19097241 0.90 ENPP2 (0.47) KCNK3ENPP2DPP4DPP8DPP7
SCHEMBL17328183 0.90 KCNK3 (0.46) KCNK3ENPP2DPP4DPP8DPP7

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
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 — — WO disclosed
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