SCHEMBL5192044

SCHEMBL5192044

CCOc1ccc(CN2CCN(C(=O)OC)CC2CC(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 1/20 0.44
FAAH O00519 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5195061 0.81 SIGMAR1 (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5192869 0.81 OPRK1 (0.46) MEN1KMT2ALMNAMAPK1L3MBTL1
SCHEMBL5193442 0.78 MAPT (0.55) MEN1KMT2AFAAHSMN1; SMN2MAPT
SCHEMBL5192480 0.77 SIGMAR1 (0.48) MEN1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL5190010 0.76 POLB (0.60) KDM4EMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL5194086 0.76 FAAH (0.62) MEN1KMT2AFAAHSMN1; SMN2MAPT
SCHEMBL5193328 0.75 L3MBTL1 (0.49) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5199484 0.75 MAPT (0.51) MEN1KMT2AFAAHSMN1; SMN2MAPT
SCHEMBL5194848 0.74 OPRK1 (0.46) KMT2ALMNASMN1; SMN2L3MBTL1GAA
SCHEMBL5210351 0.73 FAAH (0.46) MEN1KMT2AFAAHLMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed