SCHEMBL5504819

SCHEMBL5504819

CC(C)N1CCC(N2CCN(CCCN3CCC(F)(F)C3)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.36
LMNA P02545 2/20 0.33
OPRM1 P35372 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAOB P27338 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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) NSD2OPRM1
SCHEMBL5502129 0.75 SIGMAR1 (0.41) LMNAMEN1MAPTKMT2AL3MBTL1
SCHEMBL5501533 0.74 HRH3 (0.33) LMNAHRH3
SCHEMBL23441910 0.74 HRH3 (0.40) L3MBTL1HRH3
SCHEMBL4382863 0.72 HRH3 (0.41) NSD2OPRM1HRH3
SCHEMBL22456361 0.70 HRH3 (0.41) L3MBTL1L3MBTL3HRH3
SCHEMBL25122519 0.69 LMNA (0.39) LMNAMEN1MAPTKMT2AMAOB
SCHEMBL5505487 0.68 CYP1A2 (0.45) LMNAMEN1MAPTKMT2A
SCHEMBL5505363 0.68 HRH3 (0.36) HRH3
SCHEMBL5505366 0.68 HRH3 (0.36) HRH3

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