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SCHEMBL27596159

SCHEMBL27596159

[CH2]CCNc1ncc(C(=O)c2ccccc2C(F)(F)F)s1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 7/20 0.44
▸ MAPK12 P53778 7/20 0.44
▸ MAPK11 Q15759 7/20 0.44
▸ MAPK14 Q16539 7/20 0.44
▸ SCD O00767 1/20 0.42

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
SCHEMBL5564938 0.86 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14SCD
SCHEMBL5564934 0.86 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14SCD
SCHEMBL27596211 0.83 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6876510 0.83 MAPK14 (0.47) MAPK13MAPK12MAPK11MAPK14
SCHEMBL27615016 0.82 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5569283 0.82 SCD (0.46) MAPK13MAPK12MAPK11MAPK14SCD
SCHEMBL5564819 0.81 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6879014 0.80 NPC1 (0.63) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5568773 0.79 NPC1 (0.46) MAPK13MAPK12MAPK11MAPK14SCD
SCHEMBL5568708 0.79 STK17B (0.43) —

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-100363362-C Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2008-01-23 — — CN disclosed
CN-1639158-A Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2005-07-13 — — CN disclosed