SCHEMBL374196

SCHEMBL374196

CC(C)(C)OC(=O)ON1CCC(C)(OC(=O)O)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3728534 0.84
SCHEMBL4064598 0.80 USP2 (0.33) USP2SMN1; SMN2
SCHEMBL3817248 0.79 USP2 (0.35) USP2SMN1; SMN2
SCHEMBL4263634 0.75
SCHEMBL4434089 0.75 HPGD (0.39) USP2SMN1; SMN2
SCHEMBL373475 0.74 CHRM3 (0.35)
SCHEMBL2373613 0.73 HPGD (0.41) USP2SMN1; SMN2
SCHEMBL11889891 0.73 CYP1A2 (0.41)
SCHEMBL212033 0.73 CHRM2 (0.42) USP2SMN1; SMN2
SCHEMBL4067285 0.72 CHRM2 (0.36)

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-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
EP-2380891-B1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-12-11 EP disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed