SCHEMBL7946211

SCHEMBL7946211

O=C1CCC[C@H](c2ccc(-c3ccccc3)cc2)N1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IKBKB O14920 1/20 0.38
HDAC2 Q92769 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
KDM1A O60341 3/20 0.37
MAOB P27338 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
GRIN2B Q13224 1/20 0.36
BRD4 O60885 1/20 0.36
GPR174 Q9BXC1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL10252171 0.90 IKBKB (0.45) NPC1RAB9AIKBKBHDAC2PDE4A
SCHEMBL1274980 0.90 DDB1 (0.44) HDAC2PDE4APDE4BPDE4CPDE4D
SCHEMBL3237381 0.84 DDB1 (0.43) HDAC2PDE4APDE4BPDE4CPDE4D
SCHEMBL15874659 0.84 DDB1 (0.43) HDAC2PDE4APDE4BPDE4CPDE4D
SCHEMBL2199831 0.79 SMN1; SMN2 (0.41) NPC1RAB9AHDAC2PDE4APDE4B
SCHEMBL9800296 0.79 ESR2 (0.49) HDAC2PDE4APDE4BPDE4CPDE4D
SCHEMBL21009133 0.79 TP53 (0.46) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL22660215 0.79 TDP1 (0.43) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL8177567 0.78 DDB1 (0.52) IKBKBHDAC2PDE4APDE4BPDE4C
SCHEMBL3584879 0.78 DDB1 (0.52) IKBKBHDAC2PDE4APDE4BPDE4C

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-2010038167-A1 OXOPIPERIDINYL AND PYRANYL SULFONAMIDES AS AMPA POTENTIATORS PFIZER INC. (US) 2010-04-08 WO disclosed