SCHEMBL7828671

SCHEMBL7828671

COC(C#N)Cc1ccc(OCCN(C)c2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.53
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.50
PPARA Q07869 2/20 0.50
LMNA P02545 2/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
SLC6A3 Q01959 2/20 0.50
GMNN O75496 1/20 0.50
EGFR P00533 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADRB3 P13945 1/20 0.50
ADRA2B P18089 1/20 0.50
NFKB1 P19838 1/20 0.50
TACR2 P21452 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL7822770 0.86 PPARG (0.55) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL4622907 0.80 KMT2A (0.57) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL9390256 0.79 PPARG (0.66) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL9390236 0.79 PPARG (0.60) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL8058694 0.78 PPARG (0.59) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL7914462 0.77 PPARG (0.58) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL5374848 0.77 PPARG (0.61) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL5381839 0.77 PPARG (0.58) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL9087772 0.76 PPARG (0.58) PPARGMAPTKMT2AMEN1CYP3A4
SCHEMBL7922668 0.76 PPARG (0.62) PPARGMAPTKMT2AMEN1CYP3A4

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-0648212-B1 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 2001-10-24 EP disclosed
EP-1000938-A1 Heterocyclic compounds as pharmaceuticals SMITHKLINE BEECHAM PLC (GB) 2000-05-17 EP disclosed
US-6048883-A HYPOGLYCEMIC AGENT SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
EP-0648212-A1 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 1995-04-19 EP disclosed
WO-1994001420-A1 HETEROCYCLIC COMPOUNDS AS PHARMACEUTICAL SMITHKLINE BEECHAM PLC (GB) 1994-01-20 WO disclosed