SCHEMBL3965951

SCHEMBL3965951

O=C(C=C1CCN2CCCC1C2)Nc1ccc(Cl)c2ccccc12.[CH2]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.32
CNR1 P21554 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD11B1 P28845 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL3966081 0.85 KDM4E (0.47) GAALMNAKDM4EHSD17B10SMN1; SMN2
SCHEMBL3964180 0.81 NPC1 (0.42) LMNAMAPTTP53SMN1; SMN2NPC1
SCHEMBL3966975 0.77 HTT (0.39) LMNANPC1RAB9ACCNA2CDK2
SCHEMBL3959574 0.76 CYP1A2 (0.46) LMNAMAPTPOLBKDM4ESMN1; SMN2
SCHEMBL3956114 0.75 KMT2A (0.42) MAPTPOLBKDM4ENPC1RAB9A
SCHEMBL3968445 0.74 HRH3 (0.47) GAAATMLMNAMAPTPOLB
SCHEMBL3959493 0.74 NAMPT (0.44) LMNATP53POLBKDM4ESMN1; SMN2
SCHEMBL2089950 0.73 NPY5R (0.34) NPY5RGAAATMNPC1RAB9A
SCHEMBL3966365 0.72 TGM2 (0.43) POLBKCNH2
SCHEMBL3956362 0.72 EPHX2 (0.41) GAALMNACNR1SMN1; SMN2NPC1

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-2069346-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF Abbott Laboratories (US) 2009-06-17 EP disclosed
WO-2008118743-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2008-10-02 WO disclosed