SCHEMBL5502126

SCHEMBL5502126

CC(C)N1CCC(N2[C]N(CCCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
EBP Q15125 1/20 0.38
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL5504816 0.77 NSD2 (0.35)
SCHEMBL5501529 0.77 HRH3 (0.32)
SCHEMBL5502129 0.76 SIGMAR1 (0.41) SIGMAR1EBPKDM4EALDH1A1TSHR
SCHEMBL5505365 0.71 HRH3 (0.34)
SCHEMBL5505360 0.71 HRH3 (0.34)
SCHEMBL5505485 0.68 CYP1A2 (0.38) ALDH1A1
SCHEMBL21871331 0.67 ALDH1A1 (0.44) KDM4EALDH1A1TDP1MEN1MAPT
SCHEMBL10092701 0.67 ALDH1A1 (0.44) KDM4EALDH1A1TDP1MEN1MAPT
SCHEMBL4386733 0.67 HRH3 (0.42) SIGMAR1EBPKDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL11412105 0.65 SIGMAR1 (0.67) SIGMAR1EBPKDM4EALDH1A1TSHR

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-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed