SCHEMBL6337294

SCHEMBL6337294

Clc1ccc2c(c1)CCC1=C(NCCC1)C2=C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 14/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
ADRB2 P07550 1/20 0.57
CHRM2 P08172 1/20 0.57
CHRM4 P08173 1/20 0.57
ABCB1 P08183 1/20 0.57
HTR1A P08908 1/20 0.57
CHRM5 P08912 1/20 0.57
ADRA2A P08913 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD2 P14416 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
CHRM3 P20309 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57

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
SCHEMBL9048355 0.81 PTAFR (0.60) HRH1PTAFRFNTAFNTBSLC6A15
SCHEMBL6418027 0.76 HRH1 (0.54) HRH1HTR2AHTR2CHTR2BMEN1
Desloratadine SCHEMBL4425 0.73 HRH1 (1.00) HRH1HTR2AHTR2CHTR2BMEN1
Desloratadine SCHEMBL29371361 0.73 HRH1 (1.00) HRH1HTR2AHTR2CHTR2BMEN1
Desloratadine SCHEMBL29390260 0.73 HRH1 (1.00) HRH1HTR2AHTR2CHTR2BMEN1
SCHEMBL6178576 0.72 HRH1 (0.73) HRH1HTR2AHTR2CHTR2BMEN1
Desloratadine SCHEMBL5200429 0.72 HRH1 (0.97) HRH1HTR2AHTR2CHTR2BMEN1
Desloratadine SCHEMBL4574215 0.72 HRH1 (0.97) HRH1HTR2AHTR2CHTR2BMEN1
Desloratadine SCHEMBL5198706 0.72 HRH1 (0.97) HRH1HTR2AHTR2CHTR2BMEN1
Desloratadine SCHEMBL5200118 0.72 HRH1 (0.97) HRH1HTR2AHTR2CHTR2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962924-B2 Salt and polymorphs of desloratadine hemifumarate SANDOZ AG (CH) 2005-11-08 US claimed