SCHEMBL7684419

SCHEMBL7684419

CC(C)OC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.47
PYGL P06737 1/20 0.43
PYGM P11217 1/20 0.43
NPY5R Q15761 1/20 0.39
PLA2G2A P14555 1/20 0.39
GABRA1 P14867 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38
GABRA2 P47869 4/20 0.38
GABRA6 Q16445 2/20 0.38
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA4 P48169 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL6222204 0.89 CNR2 (0.49) CNR2PLA2G2AGABRA1GABRG2GABRB3
SCHEMBL7684633 0.87 CNR2 (0.63) CNR2PLA2G2AGABRA1GABRG2GABRB3
SCHEMBL7504727 0.86 CNR2 (0.56) CNR2PLA2G2AGABRA1GABRG2GABRB3
SCHEMBL6220589 0.85 CNR2 (0.52) CNR2PLA2G2AGABRA1GABRG2GABRB3
SCHEMBL6221893 0.85 CYP1A2 (0.44) CNR2MEN1KMT2AALDH1A1LMNA
SCHEMBL6219592 0.85 CNR2 (0.49) CNR2PLA2G2AGABRA1GABRG2GABRB3
SCHEMBL6219578 0.84 CNR2 (0.59) CNR2PLA2G2AGABRA1GABRG2GABRB3
Acetic Acid SCHEMBL6222398 0.84 CNR2 (0.43) CNR2MEN1KMT2AALDH1A1LMNA
SCHEMBL6221207 0.83 CNR2 (0.48) CNR2PLA2G2AGABRA1GABRG2GABRB3
SCHEMBL6220738 0.82 CNR2 (0.45) CNR2PLA2G2APPARGMEN1KMT2A

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
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