SCHEMBL7012116

SCHEMBL7012116

CCOc1nc(C(=O)OC)c2[nH]c(OCC)nc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
MAT2A P31153 1/20 0.33
GABRA1 P14867 3/20 0.31
GABRA5 P31644 3/20 0.31
GABRA3 P34903 3/20 0.31
GABRA2 P47869 3/20 0.31
GABRA6 Q16445 3/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31
TLR7 Q9NYK1 2/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL7012111 0.79 NPSR1 (0.38) NPSR1MAT2AGABRA1GABRA5GABRA3
SCHEMBL7013042 0.72 NPSR1 (0.42) NPSR1TLR7CYP1A2KMT2AMEN1
SCHEMBL1146283 0.69 MAT2A (0.34) MAT2ATLR7CYP1A2KMT2AMEN1
SCHEMBL7012885 0.67 NPSR1 (0.41) NPSR1TLR7KMT2AMEN1ALDH1A1
SCHEMBL7010160 0.66 KDM4E (0.39) NPSR1CYP1A2KMT2AMEN1NPC1
SCHEMBL7010158 0.66 KDM4E (0.39) NPSR1CYP1A2KMT2AMEN1NPC1
SCHEMBL5271758 0.66 KDM4E (0.44) GABRA1GABRA5GABRA3GABRA2GABRA6
SCHEMBL5271761 0.61 RIPK1 (0.60) GABRA1GABRA5GABRA3GABRA2GABRA6
SCHEMBL6621602 0.61 NPSR1 (0.40) NPSR1POLBMAPTTSHRMAPK1
SCHEMBL19312647 0.61 ADORA1 (0.58) CYP1A2KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed