SCHEMBL373745

SCHEMBL373745

COCC1(c2ccc(Cl)cc2)CCN(OC(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TACR1 P25103 2/20 0.37
STS P08842 2/20 0.36
P2RX7 Q99572 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
CCR1 P32246 1/20 0.36
OPRM1 P35372 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL373688 0.88 DRD2 (0.45) DRD2MEN1KMT2AJAK2JAK1
SCHEMBL973548 0.84 MEN1 (0.52) DRD2MEN1KMT2ATACR1STS
SCHEMBL187383 0.82 DRD2 (0.45) DRD2MEN1KMT2ASTSCCR1
SCHEMBL186884 0.82 DRD2 (0.59) DRD2MEN1KMT2AOPRM1
SCHEMBL17886622 0.76 SLC6A4 (0.41) DRD2MEN1KMT2ATACR1SLC6A4
SCHEMBL187164 0.75 MAOA (0.46) JAK2JAK1TACR1SLC6A4
SCHEMBL28831246 0.75 SLC6A4 (0.48) DRD2KMT2AP2RX7SLC6A4OPRM1
SCHEMBL16565196 0.74 SLC6A4 (0.52) JAK2JAK1TACR1P2RX7SLC6A4
SCHEMBL6950592 0.74 KMT2A (0.44) DRD2MEN1KMT2ASTSCCR1
SCHEMBL28077553 0.74 DRD2 (0.50) DRD2P2RX7KCNH2

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