SCHEMBL373787

SCHEMBL373787

CC(C)(C)OC(=O)ON1CCC(Oc2ccc3c(c2)CCN(C(=O)C2CC2)CC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NR1H2 P55055 1/20 0.43
CYP2D6 P10635 2/20 0.42
GPR119 Q8TDV5 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MTNR1B P49286 3/20 0.40
F10 P00742 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
PLG P00747 2/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 2/20 0.39

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
SCHEMBL373986 0.87 ESR2 (0.49) HRH3NR1H2CYP2D6GPR119F10
SCHEMBL974703 0.87 GPR119 (0.55) HRH3L3MBTL1NR1H2GPR119
SCHEMBL373999 0.87 HRH3 (0.57) HRH3CYP2D6GPR119F10PRSS1
SCHEMBL14563272 0.84 HRH3 (0.60) HRH3CYP2D6
SCHEMBL31013899 0.78 GPR119 (0.56) HRH3NR1H2CYP2D6GPR119
SCHEMBL373315 0.77 HRH3 (0.61) HRH3CYP2D6MTNR1BF10PRSS1
SCHEMBL373517 0.76 GPR119 (0.46) HRH3L3MBTL1GPR119
SCHEMBL3724395 0.76 GPR119 (0.46) HRH3L3MBTL1GPR119MAPT
SCHEMBL3089467 0.75 HRH3 (0.72) HRH3CYP2D6
SCHEMBL11457061 0.74 MTNR1B (0.64) LMNAMAPTMTNR1BMTNR1A

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