SCHEMBL5745668

SCHEMBL5745668

CN(CCCCN1C(=O)C2CCCN2C1=O)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5746794 0.84 HTR1A (0.60) HTR1ASMN1; SMN2
SCHEMBL5745908 0.82 HTR1A (0.52) HTR1ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL4781452 0.81 HTR1A (0.52) HTR1ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL4903665 0.78 HTR1A (0.48) HTR1ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL4905304 0.77 HTR1A (0.48) HTR1ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL5744144 0.77 HTR1A (0.47) HTR1ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL4725440 0.76 HTR1A (0.69) HTR1A
SCHEMBL5746121 0.75 HTR1A (0.70) HTR1A
SCHEMBL4252077 0.74 HTR1A (0.72) HTR1ASMN1; SMN2
SCHEMBL4252076 0.74 HTR1A (0.72) HTR1ASMN1; SMN2

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-1544201-B1 NOVEL DERIVATIVES OF CYCLOALCANODIONES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACOLOGICAL APPLICATIONS CEPA SCHWARZ PHARMA S L (ES) 2006-06-28 EP disclosed
EP-1544201-A1 NOVEL DERIVATIVES OF CYCLOALCANODIONES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACOLOGICAL APPLICATIONS Cepa Schwarz Pharma s.l. (ES) 2005-06-22 EP disclosed