SCHEMBL373464

SCHEMBL373464

CC(=O)NCC1(c2ccccc2)CCN(OC(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.48
P2RX7 Q99572 2/20 0.46
HSD11B1 P28845 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
KCNA3 P22001 1/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL207137 0.88 CHRM5 (0.46) P2RX7SMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL973882 0.85 TACR1 (0.56) DRD3P2RX7SMN1; SMN2
SCHEMBL187164 0.84 MAOA (0.46)
SCHEMBL28077553 0.78 DRD2 (0.50) DRD3P2RX7DRD2DRD4KCNH2
SCHEMBL3593944 0.78 TACR1 (0.48) P2RX7SMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL16565703 0.74 KMT2A (0.46) DRD3SMN1; SMN2MEN1KMT2ADRD2
SCHEMBL3937184 0.74 NPFFR1 (0.66) DRD3P2RX7OPRL1LMNAL3MBTL1
SCHEMBL14513353 0.74 DRD3 (0.53) DRD3P2RX7HSD11B1SMN1; SMN2CHRM5
SCHEMBL3373766 0.74 LMNA (0.68) SMN1; SMN2LMNAL3MBTL1MEN1KMT2A
SCHEMBL373688 0.74 DRD2 (0.45) DRD3P2RX7HSD11B1OPRM1MEN1

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 7 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
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