SCHEMBL7712465

SCHEMBL7712465

CN1CC(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.56
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL16002483 0.79 GPR119 (0.47) GPR119PTPN2PTPN1PTPN6JAK2
SCHEMBL5705188 0.76 ALDH1A1 (0.48) GPR119JAK2JAK1ALDH1A1
SCHEMBL5705189 0.76 ALDH1A1 (0.48) GPR119JAK2JAK1ALDH1A1
SCHEMBL7710704 0.76 GPR119 (0.56) GPR119PTPN2PTPN1PTPN6KDM4E
SCHEMBL29960495 0.76 GPR119 (0.50) GPR119PTPN2PTPN1PTPN6JAK2
SCHEMBL2256940 0.76 SIGMAR1 (0.39)
SCHEMBL6490546 0.74 GPR119 (0.48) GPR119JAK2JAK1KDM4EPKM
SCHEMBL15834287 0.74 GPR119 (0.56) GPR119KDM4EPKMNAMPT
SCHEMBL14039529 0.74 GPR119 (0.53) GPR119JAK2JAK1KDM4EPKM
SCHEMBL3436365 0.73 GPR119 (0.58) GPR119PTPN2PTPN1PTPN6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
WO-2011124525-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 WO disclosed