SCHEMBL7710704

SCHEMBL7710704

CC(C)(C)OC(=O)N1CCC(C2CNc3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.56
MAPK1 P28482 1/20 0.49
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 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
SCHEMBL6645597 0.84 STS (0.48) GPR119
SCHEMBL12333931 0.83 GPR119 (0.40) GPR119MAPK1KDM4EPKM
SCHEMBL5705156 0.82 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL31503237 0.82 MAPK1 (0.47) GPR119MAPK1KDM4ENAMPT
SCHEMBL13894673 0.80 JAK2 (0.44) GPR119MAPK1
SCHEMBL13894594 0.79 MAPK1 (0.43) GPR119MAPK1
SCHEMBL6506074 0.79 SMN1; SMN2 (0.57)
SCHEMBL12334050 0.79 TP53 (0.40) GPR119
SCHEMBL12406742 0.79 GPR119 (0.44) GPR119MAPK1
SCHEMBL12406740 0.79 GPR119 (0.44) GPR119MAPK1

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
WO-2011124525-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 WO disclosed
WO-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed