SCHEMBL10145329

SCHEMBL10145329

C[C@@H]1CCC[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(C(F)(F)F)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 15/20 0.44
▸ CXCR4 P61073 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ SYK P43405 2/20 0.39
▸ TTK P33981 1/20 0.39

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
SCHEMBL10146178 0.88 LRRK2 (0.47) LRRK2CXCR4CNR2SYK
SCHEMBL13142130 0.88 CXCR4 (0.40) CXCR4SYK
SCHEMBL10145297 0.86 CNR2 (0.49) LRRK2CXCR4CNR2
SCHEMBL15397172 0.84 LRRK2 (0.44) LRRK2CXCR4CNR2NR1H2SYK
SCHEMBL12796227 0.84 LRRK2 (0.48) LRRK2CXCR4CNR2NR1H2
SCHEMBL541575 0.83 LRRK2 (0.43) LRRK2CXCR4CNR2NR1H2SYK
SCHEMBL541576 0.83 LRRK2 (0.43) LRRK2CXCR4CNR2NR1H2SYK
SCHEMBL541384 0.82 LRRK2 (0.45) LRRK2CXCR4CNR2NR1H2
SCHEMBL541383 0.82 LRRK2 (0.45) LRRK2CXCR4CNR2NR1H2
SCHEMBL13141747 0.81 CNR2 (0.61) CNR2

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-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 — — EP disclosed
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