SCHEMBL13634965

SCHEMBL13634965

COc1cc(C(=O)NC2CCN(CCCC(=O)NC(C)(CC(C)C)C(=O)OC3CCCC3)CC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.46
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1D P28221 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
BRD4 O60885 1/20 0.39
PLK1 P53350 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL13634964 0.93 HTR4 (0.49) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13634543 0.90 HTR4 (0.47) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13634692 0.90 HTR4 (0.49) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13634825 0.90 HTR4 (0.49) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14194645 0.84 HTR4 (0.48) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14194928 0.84 HTR4 (0.48) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13634894 0.83 HTR4 (0.51) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13667333 0.82 HTR4 (0.49) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13635240 0.81 HTR4 (0.48) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14194649 0.80 HTR4 (0.46) HTR4CHRM4CHRM5ADRA2CCHRM3

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
WO-2009141575-A1 INHIBITORS OF PLK CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 WO disclosed