SCHEMBL3828151

SCHEMBL3828151

CCCC[C@@H](C)NC(=O)c1cn(C(C)(C)C)c2nc(Nc3ccc(C)cc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.35
CNR2 P34972 8/20 0.35
RET P07949 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MLYCD O95822 1/20 0.34
PLA2G7 Q13093 2/20 0.33
SYK P43405 1/20 0.32
PDE10A Q9Y233 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3828156 1.00 CNR1 (0.35) CNR1CNR2RETTAS1R3TAS1R1
SCHEMBL3830189 0.91 MAPT (0.37) RETSYKSMN1; SMN2
SCHEMBL3830191 0.91 MAPT (0.37) RETSYKSMN1; SMN2
SCHEMBL4400971 0.88 MLYCD (0.39) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL3828162 0.88 MLYCD (0.39) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL3833160 0.86 RET (0.38) CNR1RETSYK
SCHEMBL5820105 0.86 KDM4E (0.36) RET
SCHEMBL5822553 0.86 PTK2 (0.38) RETTAS1R3TAS1R1TAS1R2SYK
SCHEMBL4794491 0.85 RET (0.36) CNR1CNR2RETSYKSMN1; SMN2
SCHEMBL3833011 0.83 MAPT (0.37) RETSYK

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
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed