SCHEMBL2993155

SCHEMBL2993155

CSCCC1NC2(CCN(C(=O)C3OC=CC3=O)CC2)N(Cc2ccccc2[N+](=O)[O-])C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
ALDH1A1 P00352 8/20 0.34
KDM4E B2RXH2 6/20 0.34
LMNA P02545 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTT P42858 1/20 0.31
PKM P14618 1/20 0.30
MEN1 O00255 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
SCHEMBL1801397 0.85 ACHE (0.39) ACHEALDH1A1KDM4ELMNATDP1
SCHEMBL1802615 0.84 ALDH1A1 (0.41) ACHEALDH1A1KDM4ELMNATDP1
SCHEMBL1802738 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL1800359 0.82 SIGMAR1 (0.41) ACHEALDH1A1KDM4ELMNATDP1
SCHEMBL3003170 0.80
SCHEMBL1800360 0.80 ALDH1A1 (0.38) ACHEALDH1A1KDM4ELMNATDP1
SCHEMBL1801453 0.80 MEN1 (0.37) ACHEALDH1A1KDM4ELMNAKMT2A
SCHEMBL1802774 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL1798457 0.80 ALDH1A1 (0.41) ACHEALDH1A1KDM4ELMNAKMT2A
SCHEMBL1798991 0.79 ALDH1A1 (0.41) ACHEALDH1A1KDM4ELMNATDP1

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-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed