SCHEMBL6969098

SCHEMBL6969098

CCCCOC(=O)CCC1CNCC[N]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.39
LMNA P02545 1/20 0.36
HTR2C P28335 1/20 0.36
NAAA Q02083 3/20 0.36
EPHX2 P34913 4/20 0.35
ALDH1A1 P00352 3/20 0.35
DNM1 Q05193 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL5780506 0.87 MIF (0.39) DGKALMNANAAAALDH1A1MAOA
SCHEMBL11168898 0.86 DGKA (0.51) DGKALMNANAAAEPHX2ALDH1A1
SCHEMBL10700507 0.86 DGKA (0.39) DGKAEPHX2ALDH1A1DNM1
SCHEMBL9527125 0.81 NAAA (0.39) NAAA
SCHEMBL8026346 0.76 CHRM1 (0.37) MAOAMAOB
SCHEMBL1938997 0.75 ALDH1A1 (0.38) LMNANAAAALDH1A1
SCHEMBL789435 0.75 NOS1 (0.35) MAOAMAOB
SCHEMBL8162908 0.74 GNAO1 (0.48) DGKAHTR2CNAAAEPHX2ALDH1A1
SCHEMBL254648 0.73 GBA1 (0.33) ALDH1A1MAOAMAOB
SCHEMBL946963 0.72 KMT2A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP claimed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US claimed