SCHEMBL27627809

SCHEMBL27627809

CC1CN(C(N)=O)CCCN1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
RECQL P46063 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
BCHE P06276 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
SCHEMBL4492046 0.88 CHRM1 (0.44) CHRM1LMNAALDH1A1HTTPOLB
SCHEMBL3588954 0.76 ALDH1A1 (0.59) LMNAALDH1A1MEN1POLBMAPT
SCHEMBL3314468 0.76 ALDH1A1 (0.59) LMNAALDH1A1MEN1POLBMAPT
SCHEMBL788760 0.71
SCHEMBL3179327 0.71 ALDH1A1 (0.46) LMNAALDH1A1MAPK1MEN1MAPT
SCHEMBL1434475 0.71 ALDH1A1 (0.46) LMNAALDH1A1MAPK1MEN1MAPT
SCHEMBL15431899 0.69 CYP1A2 (0.48) CHRM1
SCHEMBL20434091 0.69 CYP1A2 (0.48) CHRM1
SCHEMBL2908533 0.69 CHRM1 (0.49) CHRM1LMNAALDH1A1HTT
SCHEMBL12668009 0.69 CA12 (0.52) CHRM1ALDH1A1MAPK1MAPTKMT2A

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
CN-1774435-A 5-membered heterocyclic derivative DAIICHI SEIYAKU CO (JP) 2006-05-17 CN disclosed