SCHEMBL6177785

SCHEMBL6177785

Cc1cc(N2CCCCC2)nc(OCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL6175964 0.95 KDM4E (0.36) KDM4ELMNAMAPTHPGDTSHR
SCHEMBL6178480 0.77 MEN1 (0.39) KDM4ELMNAHPGDTSHR
SCHEMBL4873844 0.76 ALDH1A1 (0.38) KDM4ELMNAMAPTHPGDTSHR
SCHEMBL7128136 0.74 ALDH1A1 (0.42) KDM4E
SCHEMBL4878997 0.72 HTR1A (0.34) MAPT
SCHEMBL4877091 0.72 HTR1A (0.35) HRH3
SCHEMBL4876974 0.72 KMT2A (0.42) KDM4ELMNAHPGDTSHRHTT
SCHEMBL7125197 0.72 HRH1 (0.40) KDM4ETSHRHTTHRH3
SCHEMBL4876361 0.72 KDM4E (0.38) KDM4ELMNAMAPTHPGDHTT
SCHEMBL4878132 0.71 ALDH1A1 (0.34) KDM4EMAPTHPGDRAB9A

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-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 EP claimed