SCHEMBL4056484

SCHEMBL4056484

CC(C)(C)OC(=O)N1CCC(CNc2cnc(-c3ccc(C(=O)O)cc3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
GPR119 Q8TDV5 12/20 0.51
PRMT5 O14744 1/20 0.49
TPH1 P17752 1/20 0.46
PIM1 P11309 1/20 0.45
KDM1A O60341 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
GRIN2B Q13224 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL13690383 0.92 GPR119 (0.51) KDM4EPKMGPR119PRMT5TPH1
SCHEMBL13690395 0.89 GPR119 (0.56) KDM4EPKMGPR119PRMT5KDM1A
SCHEMBL13690341 0.88 GPR119 (0.49) KDM4EPKMGPR119PRMT5TPH1
SCHEMBL13690750 0.88 GPR119 (0.49) KDM4EPKMGPR119PRMT5TPH1
SCHEMBL13690458 0.88 GPR119 (0.49) KDM4EPKMGPR119PRMT5KDM1A
SCHEMBL13690524 0.87 PRMT5 (0.46) KDM4EPKMGPR119PRMT5TPH1
SCHEMBL13690387 0.87 GPR119 (0.59) GPR119
SCHEMBL13690526 0.85 GPR119 (0.48) KDM4EPKMGPR119PRMT5TPH1
SCHEMBL13690346 0.85 GPR119 (0.48) KDM4EPKMGPR119PRMT5TPH1
SCHEMBL13690475 0.83 GPR119 (0.59) KDM4EPKMGPR119HDAC1

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-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed