SCHEMBL5564741

SCHEMBL5564741

[CH2]CCCNc1ncc(C(=O)c2ccccc2C)s1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.45
MAPK13 O15264 5/20 0.44
MAPK12 P53778 5/20 0.44
MAPK11 Q15759 5/20 0.44
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6876510 0.93 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5563877 0.88 NPC1 (0.46) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5567867 0.88 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5569154 0.87 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5568720 0.87 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11NPC1
Hydrochloric Acid SCHEMBL5569497 0.87 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5564031 0.86 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5569746 0.86 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5564032 0.86 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5567976 0.85 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11NPC1

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
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP claimed