SCHEMBL3689286

SCHEMBL3689286

COC(=O)C1CC(n2ncc(COc3ccc(-n4cnnn4)nc3)n2)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 6/20 0.37
GPR119 Q8TDV5 5/20 0.36
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ESR1 P03372 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
SCHEMBL4279093 0.90 GPR119 (0.41) KCNJ1GPR119KMT2AALDH1A1MEN1
SCHEMBL7602450 0.90 GPR119 (0.41) KCNJ1GPR119KMT2AALDH1A1MEN1
SCHEMBL14315928 0.90 GPR119 (0.36) KCNJ1GPR119KMT2AALDH1A1MEN1
SCHEMBL7588343 0.90 GPR119 (0.41) KCNJ1GPR119KMT2AALDH1A1MEN1
SCHEMBL14296655 0.90 GPR119 (0.36) KCNJ1GPR119KMT2AALDH1A1MEN1
SCHEMBL4279095 0.90 GPR119 (0.41) KCNJ1GPR119KMT2AALDH1A1MEN1
SCHEMBL16258810 0.90 GPR119 (0.41) KCNJ1GPR119KMT2AALDH1A1MEN1
SCHEMBL16242365 0.81 KCNJ1 (0.40) KCNJ1GPR119KMT2AALDH1A1MEN1
SCHEMBL3690472 0.81 KCNJ1 (0.40) KCNJ1GPR119KMT2AALDH1A1MEN1
SCHEMBL16242397 0.81 KCNJ1 (0.40) KCNJ1GPR119KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185544-A2 N-AZACYCLIC SUBSTITUTED PYRROLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS Metabolex Inc. (US) 2010-05-19 EP disclosed
WO-2009014910-A2 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 RECEPTOR FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. (US) 2009-01-29 WO disclosed