SCHEMBL6141581

SCHEMBL6141581

CN(C)CCOc1ccc(CC=O)c(N2CCN(C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
MGLL Q99685 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHEK1 O14757 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4854868 0.78 MAOB (0.46) HTR1AHTR1DHTR1BKDM4EALDH1A1
SCHEMBL6141047 0.75 KDM4E (0.45) KDM4EALDH1A1HRH3CHRNB2CHRNA4
SCHEMBL6436102 0.74 KDM4E (0.54) HTR1AKDM4EALDH1A1KMT2A
SCHEMBL14922281 0.73 HRH3 (0.57) KDM4EALDH1A1HRH3KMT2AHPGD
SCHEMBL6588597 0.72 HRH3 (0.66) KDM4EALDH1A1HRH3KMT2A
SCHEMBL6141505 0.71 DHFR (0.36) HTR1AHTR1DHTR1BALDH1A1HRH3
SCHEMBL30852680 0.71 ROCK1 (0.44) KDM4EALDH1A1HRH3MGLLABHD6
SCHEMBL17324776 0.70 HRH3 (0.47) HRH3CHRNB2CHRNA4
SCHEMBL14625869 0.68 HRH3 (0.43) KDM4EALDH1A1HRH3MGLLABHD6
SCHEMBL6141571 0.67 CHRNB2 (0.58) KDM4EALDH1A1HRH3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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