SCHEMBL207578

SCHEMBL207578

Cn1nc(C2CCN(OC(=O)OC(C)(C)C)CC2)cc1-c1ccco1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
HTR2A P28223 1/20 0.37
ADORA2A P29274 7/20 0.36
ADORA3 P0DMS8 3/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
ADORA1 P30542 4/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA6 Q16445 2/20 0.34
ADORA2B P29275 2/20 0.34
GABRA4 P48169 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL556594 0.86 GPR119 (0.51) ABCB1ABCG2GPR119ADORA2AADORA3
SCHEMBL373450 0.84 ABCB1 (0.39) ABCB1ABCG2GPR119ADORA2AADORA3
SCHEMBL974247 0.79 SCD5 (0.44) ABCG2HTR2APIK3CATDP1L3MBTL1
SCHEMBL15208260 0.73 CACNA1B (0.43) GPR119HTR2APIK3CATDP1L3MBTL1
SCHEMBL187754 0.73 PLAT (0.38) ABCB1HTR2AADORA2AADORA3ADORA2B
SCHEMBL557797 0.70 GPR119 (0.51) ABCB1ABCG2GPR119ADORA2AADORA3
SCHEMBL14764325 0.68 GPR119 (0.36) GPR119
SCHEMBL14764202 0.68 TRPC6 (0.51)
SCHEMBL14764554 0.66 ALOX5AP (0.39) GPR119PIK3CA
SCHEMBL14763960 0.65 GPR119 (0.34) GPR119HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 EP disclosed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 EP disclosed
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-2400962-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
WO-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
EP-2215092-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed