SCHEMBL6984087

SCHEMBL6984087

CC(C)(C)OC(=O)N1CCC(Cc2cccnc2C(N)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.51
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.47
FAAH O00519 1/20 0.46
DTYMK P23919 1/20 0.45
SYK P43405 1/20 0.44
TGFBR1 P36897 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL18228507 0.87 GPR119 (0.53) GPR119KDM4EPKMPOLBFAAH
SCHEMBL8601284 0.84 GPR119 (0.53) GPR119KDM4EPKMPOLBFAAH
SCHEMBL16825245 0.83 GPR119 (0.51) GPR119KDM4EPKMPOLBFAAH
SCHEMBL6979526 0.83 POLB (0.52) GPR119KDM4EPKMPOLBFAAH
SCHEMBL28191247 0.80 GPR119 (0.48) GPR119KDM4EPKMPOLBFAAH
SCHEMBL4666833 0.80 GPR119 (0.53) GPR119KDM4EPKMPOLBFAAH
SCHEMBL1507145 0.79 KDM4E (0.42) KDM4E
SCHEMBL1088570 0.78 GPR119 (0.61) GPR119KDM4EPKMPOLBFAAH
SCHEMBL29566603 0.78 GPR119 (0.61) GPR119KDM4EPKMPOLBFAAH
Hydrochloric Acid SCHEMBL29898842 0.78 KDM4E (0.41) KDM4E

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
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed