SCHEMBL6979526

SCHEMBL6979526

CC(C)(C)OC(=O)N1CCC(Cc2ncccc2C(N)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
GPR119 Q8TDV5 8/20 0.51
SYK P43405 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
PARP1 P09874 4/20 0.47
FAAH O00519 1/20 0.46

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
SCHEMBL4666833 0.87 GPR119 (0.53) POLBGPR119KDM4EPKMFAAH
SCHEMBL6984087 0.83 GPR119 (0.51) POLBGPR119SYKKDM4EPKM
SCHEMBL18228507 0.80 GPR119 (0.53) POLBGPR119KDM4EPKMFAAH
SCHEMBL31678664 0.79 PARP1 (0.46) SYKKDM4EPARP1
SCHEMBL22583344 0.79 PARP1 (0.46) SYKKDM4EPARP1
SCHEMBL1088570 0.78 GPR119 (0.61) POLBGPR119KDM4EPKMFAAH
SCHEMBL29566603 0.78 GPR119 (0.61) POLBGPR119KDM4EPKMFAAH
SCHEMBL20281797 0.78 ALOX5AP (0.53) POLBGPR119KDM4EPKMFAAH
SCHEMBL21607904 0.78 ALOX5AP (0.53) POLBGPR119KDM4EPKMFAAH
SCHEMBL7710611 0.78 PTPN2 (0.57) POLBGPR119PARP1

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