SCHEMBL13690341

SCHEMBL13690341

CC(C)(C)OC(=O)N1CCC(CNc2cnc(-c3ccc(C(=O)N4CCC(O)C4)cc3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.49
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
PRMT5 O14744 1/20 0.45
ATR Q13535 1/20 0.44
HDAC1 Q13547 1/20 0.43
TBK1 Q9UHD2 1/20 0.42
KDM1A O60341 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
TPH1 P17752 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
SCHEMBL13690750 0.97 GPR119 (0.49) GPR119KDM4EPKMPRMT5HDAC1
SCHEMBL13690458 0.90 GPR119 (0.49) GPR119KDM4EPKMPRMT5ATR
SCHEMBL4056484 0.88 KDM4E (0.52) GPR119KDM4EPKMPRMT5HDAC1
SCHEMBL13690383 0.88 GPR119 (0.51) GPR119KDM4EPKMPRMT5HDAC1
SCHEMBL4373471 0.86 ATR (0.50) ATRTBK1TPH1
SCHEMBL13690457 0.85 GPR119 (0.56) GPR119ATRHDAC1
SCHEMBL13690395 0.85 GPR119 (0.56) GPR119KDM4EPKMPRMT5KDM1A
SCHEMBL13690526 0.84 GPR119 (0.48) GPR119KDM4EPKMPRMT5HDAC1
SCHEMBL13690346 0.84 GPR119 (0.48) GPR119KDM4EPKMPRMT5HDAC1
SCHEMBL13690524 0.83 PRMT5 (0.46) GPR119KDM4EPKMPRMT5KDM1A

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 1 patent. 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