SCHEMBL6310266

SCHEMBL6310266

CC(C)c1nc2cc(Cl)c(Cl)cc2nc1SCCCCO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 9/20 0.41
PGK1 P00558 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
AURKA O14965 1/20 0.31

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
SCHEMBL6306880 0.75 GLP1R (0.53) GLP1R
SCHEMBL6305823 0.66 GLP1R (0.58) GLP1RPGK1
SCHEMBL6303731 0.66 L3MBTL1 (0.44) GLP1RCYP1A2CYP2C19
SCHEMBL6307070 0.64 GLP1R (0.41) GLP1R
SCHEMBL6304271 0.63 GLP1R (0.54) GLP1R
SCHEMBL6311321 0.62 GLP1R (0.43) GLP1R
SCHEMBL6304349 0.62 HSD17B10 (0.41) GLP1R
SCHEMBL26120245 0.60 CA2 (0.53)
SCHEMBL5149810 0.59 IDO1 (0.33)
SCHEMBL6307427 0.59 GLP1R (1.00) GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927214-B1 Non-peptide GLP-1 agonists NOVO NORDISK A/S (DK) 2005-08-09 US disclosed
EP-1147094-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2001-10-24 EP disclosed
WO-2000042026-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2000-07-20 WO disclosed