SCHEMBL4854673

SCHEMBL4854673

CN(C)CCOc1ccc(-c2ccccn2)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.51
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ACVR1B P36896 2/20 0.43
TGFBR1 P36897 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR7 P34969 4/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL4853715 0.83 ALDH1A1 (0.60) ADRB2ADRB1ALDH1A1KDM4EMEN1
SCHEMBL4852503 0.83 ALDH1A1 (0.60) ADRB2ADRB1ALDH1A1KDM4EMEN1
SCHEMBL4508073 0.81 ERN1 (0.69) ERN1ALDH1A1KDM4EMEN1MAPT
SCHEMBL4853655 0.79 ERN1 (0.53) ERN1ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL4845580 0.79 SLC6A9 (0.49) ADRB2ADRB1ALDH1A1KDM4EMEN1
SCHEMBL4849767 0.78 KDM4E (0.47) ADRB2ADRB1ALDH1A1KDM4EMEN1
SCHEMBL20641478 0.78 ACVR1B (0.58) ACVR1BTGFBR1HTR7CYP1A2CYP2D6
SCHEMBL29743873 0.78 ACVR1B (0.58) ACVR1BTGFBR1HTR7CYP1A2CYP2D6
SCHEMBL4853912 0.78 HTR7 (0.54) ADRB2ADRB1ALDH1A1KDM4EMEN1
SCHEMBL4847853 0.78 SLC6A9 (0.50) ERN1ADRB2ADRB1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed