SCHEMBL4131082

SCHEMBL4131082

Cn1nc(C(C)(C)C)c2nc(N(CC3CCCCC3)CC3CCN(C(=O)CN4CCOCC4)CC3)[nH]c(=O)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PDE5A O76074 1/20 0.33
PDE6C P51160 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPY5R Q15761 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TMEM97 Q5BJF2 2/20 0.30
SIGMAR1 Q99720 1/20 0.30
CD38 P28907 1/20 0.30

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
SCHEMBL4134627 0.92 MAPT (0.34) MAPTCNR2ALDH1A1PDE5APDE6C
SCHEMBL4127434 0.86 KDM4E (0.35) MAPTCNR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4123024 0.85 ALDH1A1 (0.36) MAPTALDH1A1PDE5APDE6CALOX15
SCHEMBL4140662 0.85 KDM4E (0.35) MAPTCNR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4122386 0.84 KDM4E (0.36) MAPTCNR2ALDH1A1PDE5AKDM4E
SCHEMBL8045132 0.84 KDM4E (0.41) MAPTCNR2ALDH1A1PDE5AKDM4E
SCHEMBL8034133 0.82 KDM4E (0.36) MAPTALDH1A1PDE5APDE6CHSD17B10
SCHEMBL4128827 0.82 KDM4E (0.39) MAPTCNR2ALDH1A1PDE5AKDM4E
SCHEMBL4139405 0.80 KDM4E (0.34) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL3995952 0.80 KDM4E (0.39) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1

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-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed