SCHEMBL3681609

SCHEMBL3681609

CN(C)CCNc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 2/20 0.50
MAPT P10636 5/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
MAOB P27338 5/20 0.44
MAOA P21397 3/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ABCG2 Q9UNQ0 3/20 0.43
AR P10275 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 2/20 0.42
NR2F2 P24468 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3693307 1.00 CXCL12 (0.50) CXCL12MAPTNPC1MEN1KMT2A
SCHEMBL3692907 0.93 CXCL12 (0.48) CXCL12MAPTNPC1MEN1KMT2A
SCHEMBL3696655 0.93 CXCL12 (0.48) CXCL12MAPTNPC1MEN1KMT2A
SCHEMBL3692726 0.88 CXCL12 (0.47) CXCL12MAPTNPC1MEN1KMT2A
SCHEMBL3686697 0.83 MAOB (0.57) CXCL12MAPTMAOBMAOAABCG2
SCHEMBL3686695 0.83 MAOB (0.57) CXCL12MAPTMAOBMAOAABCG2
SCHEMBL3688246 0.83 MAOB (0.57) CXCL12MAPTMAOBMAOAABCG2
SCHEMBL30383554 0.83 MAOB (0.57) CXCL12MAPTMAOBMAOAABCG2
SCHEMBL3684230 0.82 CXCL12 (0.49) CXCL12MAPTNPC1MEN1KMT2A
SCHEMBL3687524 0.81 MAPT (0.55) CXCL12MAPTNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP claimed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO claimed
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed
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