SCHEMBL19908607

SCHEMBL19908607

CCNc1cc(C(=O)CN2CCCCC2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.52
ALPG P10696 1/20 0.52
ALDH1A1 P00352 8/20 0.50
GLA P06280 1/20 0.50
MAOB P27338 3/20 0.49
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
RECQL P46063 1/20 0.47
HTT P42858 2/20 0.45
GFER P55789 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
PLEC Q15149 1/20 0.45
CNR2 P34972 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
RAD52 P43351 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL19908699 0.90 ALPL (0.50) ALPLALPGALDH1A1GLAMAOB
SCHEMBL19908620 0.81 ALPL (0.63) ALPLALPGALDH1A1GLAMAOB
SCHEMBL22788205 0.75 KDM4E (0.41) ALDH1A1KDM4EHPGDHTTGFER
SCHEMBL3063269 0.74 KDM4E (0.57) ALDH1A1KDM4EHPGDHTTGFER
SCHEMBL23469195 0.74 ALPL (0.52) ALPLALPGALDH1A1GLAMAOB
SCHEMBL3122205 0.72 ALPL (0.50) ALPLALPGALDH1A1GLAMAOB
SCHEMBL2014323 0.72 LNPEP (0.56) ALDH1A1GLAKDM4EHPGDHTT
SCHEMBL3416308 0.71 ALDH1A1 (0.54) ALDH1A1GLAKDM4EHPGDMAPT
SCHEMBL3355586 0.71 PTGER4 (0.53) ALDH1A1GLAKDM4EMAPTGAA
SCHEMBL13497806 0.70 PTGER4 (0.58) ALDH1A1KDM4EHPGDHTTGFER

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-3287441-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 EP disclosed