SCHEMBL5554772

SCHEMBL5554772

Cc1nc2c(cc1C(=O)O)CCCCC2COC(=O)NCCO

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 13/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PPARG P37231 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL929703 0.91 OPRK1 (0.38) KDM4EALDH1A1PPARGKMT2ASMN1; SMN2
SCHEMBL927097 0.87 KDM4E (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5556431 0.80 SLC9A1 (0.40) KDM4CKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL928060 0.80 CNR1 (0.38) CNR1CNR2
SCHEMBL7913336 0.77 ALDH1A1 (0.32) KDM4CKDM4EALDH1A1PPARGKMT2A
SCHEMBL5556439 0.77 SLC9A1 (0.36) KDM4CKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL2003927 0.76
SCHEMBL926544 0.75
SCHEMBL926545 0.75
SCHEMBL927320 0.75

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-1849774-A1 CYCLOHEPTA(b)PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TOA EIYO LTD. (JP) 2007-10-31 EP disclosed