SCHEMBL6983073

SCHEMBL6983073

CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc3ncccc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
PKM P14618 1/20 0.65
CCR3 P51677 9/20 0.50
NAMPT P43490 1/20 0.49
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
HDAC1 Q13547 1/20 0.47
PLK1 P53350 1/20 0.47
HTR3A P46098 1/20 0.47
BCHE P06276 1/20 0.47
MAOB P27338 1/20 0.47
RORC P51449 2/20 0.46
GPR119 Q8TDV5 1/20 0.46
POLB P06746 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
SCHEMBL10144835 0.86 KDM4E (0.76) KDM4EPKMNAMPTACACBACACA
SCHEMBL28191245 0.81 MET (0.53) KDM4EPKMCCR3GPR119POLB
SCHEMBL6980865 0.81 KDM4E (0.61) KDM4EPKMHTR3AGPR119POLB
SCHEMBL6979528 0.80 KDM4E (0.76) KDM4EPKMNAMPTRORCGPR119
SCHEMBL26131403 0.79 KDM4E (1.00) KDM4EPKMNAMPTACACBACACA
SCHEMBL5424115 0.79 KDM4E (0.62) KDM4EPKMNAMPTRORCGPR119
SCHEMBL6984094 0.79 KDM4E (0.71) KDM4EPKMNAMPTRORCGPR119
SCHEMBL7467887 0.79 KDM4E (0.64) KDM4EPKMGPR119POLB
SCHEMBL13947430 0.78 KDM4E (0.80) KDM4EPKMNAMPTRORCGPR119
SCHEMBL15661860 0.78 KDM4E (0.80) KDM4EPKMNAMPTRORCGPR119

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