SCHEMBL2654865

SCHEMBL2654865

CCCCCCNC1CCSCC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.59
GNAO1 P09471 2/20 0.59
GNAI1 P63096 2/20 0.59
S1PR4 O95977 2/20 0.46
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 2/20 0.46
S1PR5 Q9H228 1/20 0.44
GBA1 P04062 6/20 0.42
EPHX1 P07099 10/20 0.42
EPHX2 P34913 2/20 0.41

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
SCHEMBL16026647 0.89 GNAI3 (0.51) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL17718458 0.85 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL1044920 0.85 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL20746945 0.85 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL9155873 0.85 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL24210534 0.85 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL4921737 0.85 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL31020849 0.85 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL7994404 0.83 GNAI3 (0.38) GNAI3GNAO1GNAI1EPHX1
SCHEMBL530708 0.83

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-1723128-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-11-22 EP disclosed
WO-2005066145-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-07-21 WO disclosed