SCHEMBL6436102

SCHEMBL6436102

CN1CCN(c2ccc(CC=O)c(N3CCN(C)CC3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
GAA P10253 3/20 0.54
MAPT P10636 3/20 0.54
PTK2B Q14289 2/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 3/20 0.49
HTR3A P46098 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
ADRA2C P18825 2/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
HTR6 P50406 1/20 0.41
GFER P55789 1/20 0.41
ESR2 Q92731 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4427577 0.85 MAPT (0.54) KDM4EGAAMAPTPTK2BMAPK1
SCHEMBL4429989 0.84 SIRT6 (0.52) KDM4EGAAMAPTPTK2BMAPK1
Hydrochloric Acid SCHEMBL4438793 0.79 MAPT (0.55) KDM4EGAAMAPTPTK2BMAPK1
SCHEMBL6473253 0.79 ALDH1A1 (0.65) KDM4EGAAMAPTPTK2BALDH1A1
SCHEMBL6141581 0.74 HTR1A (0.44) KDM4EALDH1A1KMT2AHTR1A
SCHEMBL14614703 0.71 KDM4E (0.53) KDM4EGAAMAPTPTK2BMAPK1
SCHEMBL20884918 0.70 KDM4E (0.51) KDM4EGAAMAPTPTK2BMAPK1
SCHEMBL1599761 0.70 SIRT6 (0.57) KDM4EGAAMAPTPTK2BMAPK1
SCHEMBL12073501 0.70 KDM4E (0.51) KDM4EGAAMAPTPTK2BMAPK1
SCHEMBL14922272 0.69 CHKA (0.54) KDM4EGAAMAPTPTK2BMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed