SCHEMBL3689477

SCHEMBL3689477

CC(=O)c1ccc(NCCN(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
CYP1A2 P05177 1/20 0.51
MAOA P21397 1/20 0.51
CNR1 P21554 1/20 0.51
DRD4 P21917 1/20 0.51
ACHE P22303 1/20 0.51
HRH2 P25021 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
MAPK1 P28482 1/20 0.51
NTSR1 P30989 1/20 0.51
HRH1 P35367 1/20 0.51
DRD3 P35462 1/20 0.51
SCN1A P35498 1/20 0.51
HTR2B P41595 1/20 0.51
SCN7A Q01118 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN9A Q15858 1/20 0.51

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
SCHEMBL3696256 0.90 LMNA (0.56) LMNACYP1A2MAOACNR1DRD4
SCHEMBL4135587 0.86 LMNA (0.51) LMNACYP1A2MAOACNR1DRD4
Hydrochloric Acid SCHEMBL5071263 0.84 LMNA (0.52) LMNACYP1A2MAOACNR1DRD4
SCHEMBL64206 0.83 POLB (0.64) LMNACYP1A2MAOACNR1DRD4
SCHEMBL5724876 0.81 ALDH1A1 (0.51) LMNACYP1A2MAOACNR1DRD4
SCHEMBL3685150 0.80 HTT (0.54) MAPK1RAB9AMAPTKMT2AMEN1
SCHEMBL18474128 0.80 LMNA (0.44) LMNACYP1A2MAOACNR1DRD4
SCHEMBL14535153 0.79 NPC1 (0.49) LMNACYP1A2MAOACNR1DRD4
SCHEMBL5067501 0.79 LMNA (0.67) LMNACYP1A2MAOACNR1DRD4
SCHEMBL22111628 0.79 MAPT (0.66) LMNAMAPK1KCNH2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-7423181-B2 in particular against bacterial and parasitic infections, fungi, and helminths; improved metabolic and physiochemical properties, bioavailability, solubility; 3-[4-(2-Dimethylamino-ethoxy)-2'-trifluoromethyl-biphenyl-3-yl]-1-(2-dimethylaminomethyl-phenyl)-propenone LICA PHARMACEUTICALS A/S (DK) 2008-09-09 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US disclosed
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP 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
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed