SCHEMBL4331624

SCHEMBL4331624

CCC1(CC)OB(c2ccc(N)nc2)OC1(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
LPL P06858 5/20 0.34
LIPG Q9Y5X9 5/20 0.34
DGAT1 O75907 2/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
DRD4 P21917 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32

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
SCHEMBL29730121 0.82 LPL (0.46) NOS3NOS2LPLLIPGDGAT1
SCHEMBL183601 0.82 LPL (0.46) NOS3NOS2LPLLIPGDGAT1
SCHEMBL16278109 0.82 LPL (0.46) NOS3NOS2LPLLIPGDGAT1
SCHEMBL18631834 0.73 DGAT1 (0.36) LPLLIPGDGAT1
SCHEMBL32689814 0.71 ELANE (0.39) LPLLIPGSMN1; SMN2
SCHEMBL8074045 0.71 NOS3 (0.34) NOS3NOS2
SCHEMBL15661734 0.70 LIPG (0.57) LPLLIPGDGAT1PIK3CDF11
SCHEMBL18071 0.68 CA1 (0.47) LPLLIPGKDM4E
SCHEMBL7954286 0.66 DGAT1 (0.54) LPLLIPGDGAT1F11
SCHEMBL24092802 0.66 NOS3 (0.35) NOS3NOS2KDM4EHSD17B10

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-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed