SCHEMBL3684332

SCHEMBL3684332

CN(C)CCNc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 6/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
AR P10275 1/20 0.44
ALOX12 P18054 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL3681814 1.00 MAPT (0.47) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3681815 0.87 PTPN5 (0.54) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3681609 0.80 CXCL12 (0.50) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3693307 0.80 CXCL12 (0.50) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3692726 0.80 CXCL12 (0.47) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4856209 0.79 MAPT (0.52) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4846123 0.79 MAPT (0.52) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5915497 0.78 TBXA2R (0.51) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5915873 0.78 TBXA2R (0.51) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5915663 0.78 TBXA2R (0.46) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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