SCHEMBL4054057

SCHEMBL4054057

O=C(O)N1CCC(N(Cc2cnc(Cl)cn2)C2CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.33
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP3A4 P08684 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PANK3 Q9H999 1/20 0.30
CCNK O75909 1/20 0.30
CDK12 Q9NYV4 1/20 0.30

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
SCHEMBL13690386 0.83 NAMPT (0.33) KCNH2HRH3PANK3
SCHEMBL4057361 0.83 GPR119 (0.45)
SCHEMBL3981425 0.81 KMT2A (0.44) MEN1KMT2A
SCHEMBL13690337 0.81 HPGD (0.47) KMT2A
SCHEMBL4048177 0.75 MGLL (0.36) SIRT6CCNKCDK12
SCHEMBL13690485 0.75 NOS2 (0.39) KCNH2CYP3A4
SCHEMBL13690725 0.73 L3MBTL3 (0.46) HRH3CYP3A4MEN1KMT2A
SCHEMBL18428958 0.73 KDM4E (0.37)
SCHEMBL13690325 0.72 FAAH (0.33) KCNH2HRH3PANK3
SCHEMBL4048446 0.71 GPR119 (0.43)

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