SCHEMBL3684640

SCHEMBL3684640

CN(C)CCNc1ccc(C=CC(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
RAB9A P51151 5/20 0.59
KMT2A Q03164 4/20 0.59
NPC1 O15118 3/20 0.59
MEN1 O00255 1/20 0.59
MAPK1 P28482 1/20 0.59
BCHE P06276 7/20 0.55
ACHE P22303 6/20 0.55
CYP3A4 P08684 3/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
MAOB P27338 2/20 0.54
CYP1B1 Q16678 2/20 0.54
PLIN1 O60240 1/20 0.54
LMNA P02545 1/20 0.54
TNFRSF1A P19438 1/20 0.54
RECQL P46063 1/20 0.54
PLIN5 Q00G26 1/20 0.54
ABHD5 Q8WTS1 1/20 0.54
HDAC3 O15379 1/20 0.54

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
SCHEMBL3682132 1.00 MAPT (0.59) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL3682133 0.95 BCHE (0.62) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL30383292 0.95 BCHE (0.62) MAPTRAB9AKMT2ANPC1MEN1
Fumaric Acid SCHEMBL25194316 0.91 BCHE (0.58) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL3692091 0.90 BCHE (0.60) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL3692089 0.90 BCHE (0.60) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL3695023 0.90 BCHE (0.60) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL3691653 0.87 TLR9 (0.61) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL3691651 0.87 TLR9 (0.61) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL30383554 0.87 MAOB (0.57) MAPTBCHEACHEHPGDMAOB

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