SCHEMBL8570664

SCHEMBL8570664

COc1cccc(CN2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.81
MAPT P10636 3/20 0.74
TSHR P16473 2/20 0.74
KDM4E B2RXH2 5/20 0.69
ALDH1A1 P00352 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
GAA P10253 1/20 0.67
GFER P55789 1/20 0.67
DRD4 P21917 1/20 0.64
TP53 P04637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
LMNA P02545 1/20 0.61
CASP1 P29466 1/20 0.60
CASP4 P49662 1/20 0.60
CASP5 P51878 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
DRD2 P14416 1/20 0.59
KCNH2 Q12809 1/20 0.59
FAAH O00519 1/20 0.59

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
SCHEMBL15938394 0.89 MAPT (0.71) SIGMAR1MAPTTSHRKDM4EALDH1A1
SCHEMBL8729399 0.88 SIGMAR1 (0.67) SIGMAR1MAPTTSHRKDM4EALDH1A1
SCHEMBL20804357 0.88 SIGMAR1 (0.90) SIGMAR1MAPTTSHRKDM4EALDH1A1
SCHEMBL28186295 0.88 SIGMAR1 (0.90) SIGMAR1MAPTTSHRKDM4EALDH1A1
SCHEMBL27903294 0.88 SIGMAR1 (0.66) SIGMAR1MAPTTSHRKDM4EALDH1A1
SCHEMBL28802676 0.88 SIGMAR1 (0.66) SIGMAR1MAPTTSHRKDM4EALDH1A1
SCHEMBL6703194 0.88 SIGMAR1 (0.66) SIGMAR1MAPTTSHRKDM4EALDH1A1
SCHEMBL15937935 0.84 DRD4 (0.69) SIGMAR1MAPTTSHRKDM4EALDH1A1
SCHEMBL11923385 0.84 SIGMAR1 (0.79) SIGMAR1MAPTTSHRALDH1A1SMN1; SMN2
SCHEMBL19212406 0.83 ADRB1 (0.69) MAPTTSHRKDM4EALDH1A1SMN1; SMN2

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-1998008091-A1 NORMALIZATION OF COMBINATORIAL REACTIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-26 WO disclosed