SCHEMBL9255754

SCHEMBL9255754

CC(C)C(=O)Nc1ccc2c(ccn2-c2ccc(OC3CCNCC3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.47
DYRK1A Q13627 6/20 0.41
WNT1 P04628 3/20 0.41
GSK3B P49841 3/20 0.41
CSF1R P07333 1/20 0.41
FLT3 P36888 1/20 0.41
KDM1A O60341 5/20 0.39
MAOA P21397 1/20 0.39
RCOR1 Q9UKL0 3/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 1/20 0.38
ACACB O00763 4/20 0.38
CLK2 P49760 3/20 0.38
CLK3 P49761 3/20 0.38

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
SCHEMBL9259624 0.90 CHRNA7 (0.46) CHRNA7DYRK1AWNT1GSK3BCSF1R
SCHEMBL8533375 0.88 CHRNA7 (0.47) CHRNA7MAPTACACB
SCHEMBL9250939 0.86 CHRNA7 (0.50) CHRNA7DYRK1AWNT1GSK3BCSF1R
SCHEMBL8532209 0.85 CHRNA7 (0.44) CHRNA7CSF1RFLT3MAPTACACB
SCHEMBL9262940 0.84 CHRNA7 (0.44) CHRNA7MAPT
SCHEMBL9253063 0.83 KDM1A (0.45) CHRNA7DYRK1AWNT1GSK3BCSF1R
SCHEMBL8533987 0.83 GPR119 (0.46) CHRNA7ACACB
SCHEMBL15253234 0.82 CHRNA7 (0.45) CHRNA7CSF1RFLT3ACACB
SCHEMBL9259070 0.82 DYRK1A (0.44) CHRNA7DYRK1AWNT1GSK3BCSF1R
SCHEMBL9255822 0.82 CHRNA7 (0.36) CHRNA7DYRK1AWNT1GSK3BCSF1R

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
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed