SCHEMBL4836281

SCHEMBL4836281

CC(=O)c1ccc(C2CN(C)CCO2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.43
DRD2 P14416 2/20 0.43
LMNA P02545 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP1A1 P04798 1/20 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
Nitric Acid SCHEMBL8345680 0.92 LMNA (0.41) DRD3DRD2LMNAHRH3SMN1; SMN2
SCHEMBL4838546 0.90 LMNA (0.42) DRD3DRD2LMNAHRH3SMN1; SMN2
SCHEMBL15109816 0.82 USP30 (0.43) DRD3DRD2LMNASMN1; SMN2MEN1
SCHEMBL972020 0.81 DRD3 (0.47) DRD3
SCHEMBL10747371 0.79 PDE10A (0.46) DRD3DRD2
SCHEMBL24394471 0.78 PDE10A (0.47) DRD3MEN1KMT2A
SCHEMBL2293905 0.78 PDE10A (0.47) DRD3MEN1KMT2A
SCHEMBL2299971 0.78 PDE10A (0.47) DRD3MEN1KMT2A
SCHEMBL2298028 0.78 PDE10A (0.47) DRD3DRD2
SCHEMBL14862784 0.78 DRD3 (0.41) DRD3DRD2HRH3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7344656-B2 Storing a composition in an alcoholic gel TRUOX, INC. (US) 2008-03-18 US claimed
WO-2005013913-A2 PEROXYGEN CONTAINING PARTICLE IN AN ALCOHOL CONTAINING GEL MATERIALS TECHNOLOGY LABORATORIES, INC. (US) 2005-02-17 WO claimed
US-20050032660-A1 Storing a composition in an alcoholic gel TRUOX, INC. 2005-02-10 US claimed
US-7465411-B2 Catalyst-mediated in-situ generation of dioxirane TRUOX, INC. (US) 2008-12-16 US disclosed
US-7344656-B2 Storing a composition in an alcoholic gel TRUOX, INC. (US) 2008-03-18 US disclosed
US-20070219108-A1 Catalyst-mediated in-situ generation of dioxirane TRUOX, INC. 2007-09-20 US disclosed
WO-2005013913-A2 PEROXYGEN CONTAINING PARTICLE IN AN ALCOHOL CONTAINING GEL MATERIALS TECHNOLOGY LABORATORIES, INC. (US) 2005-02-17 WO disclosed
US-20050032660-A1 Storing a composition in an alcoholic gel TRUOX, INC. 2005-02-10 US disclosed