SCHEMBL5502129

SCHEMBL5502129

CC1CN(CCCN2CCN(C3CCN(C(C)C)CC3)C2)CC(C)O1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
EBP Q15125 1/20 0.41
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 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
SCHEMBL5501533 0.78 HRH3 (0.33) LMNA
SCHEMBL21871331 0.76 ALDH1A1 (0.44) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL10092701 0.76 ALDH1A1 (0.44) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL5502126 0.76 SIGMAR1 (0.38) SIGMAR1EBPLMNAMEN1MAPT
SCHEMBL5504819 0.75 NSD2 (0.36) LMNAMEN1MAPTKMT2AL3MBTL1
SCHEMBL25122519 0.73 LMNA (0.39) SIGMAR1LMNAMEN1MAPTKMT2A
SCHEMBL5505363 0.72 HRH3 (0.36)
SCHEMBL5505366 0.72 HRH3 (0.36)
SCHEMBL4386733 0.72 HRH3 (0.42) SIGMAR1EBPLMNAMEN1MAPT
SCHEMBL4386729 0.72 HRH3 (0.42) SIGMAR1EBPLMNAMEN1MAPT

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