SCHEMBL3249302

SCHEMBL3249302

C=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CCS(=O)(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 3/20 0.39
POLB P06746 1/20 0.38
STS P08842 1/20 0.38
USP30 Q70CQ3 3/20 0.37
PTPRB P23467 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 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
SCHEMBL3252131 0.84 ALDH1A1 (0.44) GPR119ALDH1A1LMNAMAPTHSD17B10
SCHEMBL3250607 0.83 GPR119 (0.38) GPR119ALDH1A1LMNAMAPTTP53
SCHEMBL632936 0.80 GPR119 (0.47) GPR119ALDH1A1LMNAMAPTTP53
SCHEMBL5454076 0.79 GPR119 (0.41) GPR119LMNATP53THRBPOLB
SCHEMBL6977617 0.72 MEN1 (0.39) GPR119ALDH1A1MAPTHPGDUSP30
SCHEMBL5186931 0.72 MEN1 (0.39) GPR119ALDH1A1MAPTHPGDUSP30
SCHEMBL3246480 0.72 NR1H2 (0.41) GPR119ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3244534 0.72 NR1H2 (0.41) GPR119ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL426434 0.70 NR1H2 (0.39) GPR119ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6217654 0.70 HPGD (0.40) GPR119ALDH1A1MAPTHPGDUSP30

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
EP-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP disclosed
EP-1799674-A1 NEW PIPERIDINE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006038172-A1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-13 WO disclosed