SCHEMBL13745114

SCHEMBL13745114

CN(C)CCc1cc(=O)oc2cc3c(cc12)CCCN3CCCF

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 12/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 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
SCHEMBL13744725 0.90 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13744715 0.88 KDM4E (0.45) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13744750 0.86 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13745242 0.85 ALDH1A1 (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13744755 0.82 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13744729 0.81 KDM4E (0.47) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13745134 0.79 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13744803 0.77 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13744868 0.72 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13745008 0.72 ALDH1A1 (0.45) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1

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
WO-2009097144-A1 MOLECULAR PROBES FOR PET-IMAGING OF DOPAMINE NEUROTRANSMISSION AND NEUROENDOCRINE PROCESSES IN VIVO THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-08-06 WO disclosed