SCHEMBL4403443

SCHEMBL4403443

O=C(NC1CCN(CCN2CCCCCC2)CC1)Oc1cc2c(OCc3ccco3)cccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MCHR1 Q99705 3/20 0.35
EPHX2 P34913 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDR P35968 1/20 0.34
HTR7 P34969 3/20 0.34
HTR4 Q13639 1/20 0.34
HTR1A P08908 1/20 0.34
ALDH1A1 P00352 2/20 0.34
UTS2R Q9UKP6 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH2 P25021 1/20 0.33

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
SCHEMBL914614 0.87 KDM4E (0.41) MEN1KMT2AMCHR1KCNH2HTR7
SCHEMBL4396602 0.87 SRD5A2 (0.47) MEN1KMT2AALDH1A1
SCHEMBL4403746 0.86 CHRM2 (0.36) MEN1KMT2AMCHR1EPHX2KCNH2
SCHEMBL4404430 0.85 HTR4 (0.37) EPHX2HTR7HTR4HTR1A
SCHEMBL4400739 0.84 GUCY1B2 (0.37) EPHX2HTR7HTR4HTR1A
SCHEMBL4401901 0.84 HTR4 (0.46) KMT2AHTR4ALDH1A1HSD17B10
SCHEMBL4551166 0.83 LMNA (0.42) HTR7HTR4HTR1AALDH1A1
SCHEMBL4405631 0.83 SSTR4 (0.40) HTR7HTR4HTR1A
SCHEMBL4402091 0.83 LMNA (0.42) HTR7HTR4HTR1AALDH1A1
SCHEMBL4406823 0.83 HTR4 (0.38) KMT2AMCHR1HTR4HTR1AALDH1A1

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-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed