SCHEMBL6223161

SCHEMBL6223161

CCOC(=O)c1cc2c3ccccc3n(Cc3ccccc3C#N)c2cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.63
GABRP O00591 4/20 0.46
GABRD O14764 4/20 0.46
GABRA1 P14867 4/20 0.46
GABRB1 P18505 4/20 0.46
GABRG2 P18507 4/20 0.46
GABRB3 P28472 4/20 0.46
GABRA5 P31644 4/20 0.46
GABRA3 P34903 4/20 0.46
GABRA2 P47869 4/20 0.46
GABRB2 P47870 4/20 0.46
GABRA4 P48169 4/20 0.46
GABRE P78334 4/20 0.46
GABRA6 Q16445 4/20 0.46
GABRG1 Q8N1C3 4/20 0.46
GABRG3 Q99928 4/20 0.46
GABRQ Q9UN88 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL6223204 0.82 CNR2 (0.45) CNR2ALDH1A1LMNAMEN1KMT2A
SCHEMBL2214750 0.82 CNR2 (0.71) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL2214063 0.82 CNR2 (0.77) CNR2GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL27908737 0.81 CNR2 (0.70) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL7684633 0.80 CNR2 (0.63) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL16120076 0.80 CNR2 (0.85) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL2216873 0.80 CNR2 (0.67) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL5849866 0.79 CNR2 (0.66) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL2212394 0.78 CNR2 (0.94) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL6222850 0.78 CNR2 (0.62) CNR2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137413-B1 NON-PEPTIDE ANTAGONISTS OF GLP-1 RECEPTOR AND METHODS OF USE AGOURON PHARMA (US) 2005-02-02 EP disclosed
US-6469021-B1 ANTAGONISTS OF THE INTESTINAL HORMONE GLUCAGONS-LIKE PEPTIDE 1 (GLP-1) HAVE A 9H-B-CARBOLINE CENTRAL MOTIF, FOR REGULATING THE SECRETION OF INSULIN IN DIABETIC PATIENTS AGOURON PHARMACEUTICALS, INC. 2002-10-22 US disclosed
EP-1137413-A4 NON-PEPTIDE ANTAGONISTS OF GLP-1 RECEPTOR AND METHODS OF USE AGOURON PHARMA (US) 2002-06-26 EP disclosed
EP-1137413-A2 NON-PEPTIDE ANTAGONISTS OF GLP-1 RECEPTOR AND METHODS OF USE AGOURON PHARMACEUTICALS, INC. (US) 2001-10-04 EP disclosed
WO-2000033839-A1 NON-PEPTIDE ANTAGONISTS OF GLP-1 RECEPTOR AND METHODS OF USE AGOURON PHARMACEUTICALS, INC. (US) 2000-06-15 WO disclosed