SCHEMBL12809875

SCHEMBL12809875

CC(=O)CCC1CCN(c2ccc(C(F)(F)F)c(F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 11/20 0.49
▸ KHK P50053 1/20 0.42
▸ ACACB O00763 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ RBP4 P02753 2/20 0.40
▸ TTR P02766 2/20 0.40
▸ RORC P51449 2/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 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
SCHEMBL1410530 0.90 NOTUM (0.53) NOTUMKHKRBP4TTR
SCHEMBL1409534 0.81 NOTUM (0.65) NOTUMKHKACACBRBP4TTR
SCHEMBL1410227 0.75 NOTUM (0.66) NOTUMKHK
SCHEMBL1410132 0.72 NOTUM (0.58) NOTUM
SCHEMBL2940577 0.72 NOTUM (0.44) NOTUM
SCHEMBL22186378 0.72 NOTUM (0.50) NOTUMKHK
SCHEMBL28593065 0.72 NOTUM (0.51) NOTUMACACBUSP30
SCHEMBL28593064 0.72 NOTUM (0.51) NOTUMACACBUSP30
SCHEMBL1410681 0.72 NOTUM (0.63) NOTUMKHK
Hydrochloric Acid SCHEMBL28601661 0.71 NOTUM (0.49) NOTUMKHK

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-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 — — EP disclosed
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