SCHEMBL4536358

SCHEMBL4536358

O[SiH](O)CC1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.37
GABRB2 P47870 3/20 0.37
GABRA1 P14867 3/20 0.37
SLC6A1 P30531 2/20 0.37
SLC6A12 P48065 2/20 0.37
SLC6A11 P48066 2/20 0.37
SLC6A13 Q9NSD5 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRR1 P24046 1/20 0.37
GBA1 P04062 3/20 0.35
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
TSHR P16473 3/20 0.33
ALOX15 P16050 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA3 P34903 2/20 0.33

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
SCHEMBL4526868 0.85
SCHEMBL3898906 0.72 CHRM5 (0.35) EPHX1
SCHEMBL28988 0.71
Hydrochloric Acid SCHEMBL6132517 0.69
SCHEMBL134511 0.69
SCHEMBL332080 0.67 GNAO1 (0.45) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL331996 0.67 GBA1 (0.42) GABRA5GABRB2GABRA1SLC6A1SLC6A12
Hydrochloric Acid SCHEMBL4716511 0.67 NCF1 (0.40) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL21987001 0.67 GNAI3 (0.55) GABRA5GABRB2GABRA1SLC6A1SLC6A12
Iodide SCHEMBL31297046 0.67

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
US-7507480-B2 Corrosion-resistant metal surfaces BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2009-03-24 US disclosed
US-20060269760-A1 Corrosion-resistant metal surfaces ENERGY, UNITED STATES DEPARTMENT OF 2006-11-30 US disclosed