SCHEMBL373450

SCHEMBL373450

Cn1nc(-c2ccco2)cc1C1CCN(OC(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
ADORA2A P29274 4/20 0.36
ADORA3 P0DMS8 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SCD5 Q86SK9 1/20 0.35
ADORA1 P30542 2/20 0.35
POLB P06746 3/20 0.35
CACNA1B Q00975 2/20 0.35
APBA1 Q02410 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
GABRA1 P14867 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
SCHEMBL557797 0.86 GPR119 (0.51) ABCB1ABCG2GPR119ADORA2AADORA3
SCHEMBL207578 0.84 ABCB1 (0.37) ABCB1ABCG2GPR119ADORA2AADORA3
SCHEMBL16244875 0.73 SMN1; SMN2 (0.43) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL187844 0.73 PLAT (0.44) ABCB1ADORA2AHPGDALDH1A1KDM4E
SCHEMBL556594 0.70 GPR119 (0.51) ABCB1ABCG2GPR119ADORA2AADORA3
SCHEMBL25232329 0.69 CHRM5 (0.49) HPGDALDH1A1KDM4ETSHRHSD17B10
SCHEMBL14764325 0.66 GPR119 (0.36) GPR119
SCHEMBL7705423 0.66 HTT (0.64) ABCB1ABCG2GPR119ADORA2AALDH1A1
SCHEMBL14764202 0.66 TRPC6 (0.51)
SCHEMBL27643626 0.65 CCR5 (0.49)

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 9 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-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
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