SCHEMBL13634894

SCHEMBL13634894

COC(=O)[C@@](C)(NC(=O)CCCN1CCC(NC(=O)c2ccc(N)c(OC)c2)CC1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.51
ADRA1B P35368 2/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR1D P28221 1/20 0.45
HTR2B P41595 1/20 0.45
HTR3A P46098 1/20 0.45
MCHR1 Q99705 1/20 0.42
POLB P06746 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL13634543 0.92 HTR4 (0.47) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL13634964 0.89 HTR4 (0.49) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL13634692 0.85 HTR4 (0.49) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL13634825 0.84 HTR4 (0.49) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL13635104 0.84 HTR4 (0.56) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL13634965 0.83 HTR4 (0.46) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL13634963 0.82 HTR4 (0.61) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL13667126 0.82 HTR4 (0.53) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL12376478 0.81 HTR4 (0.49) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL10143839 0.79 HTR4 (0.55) HTR4ADRA1BCHRM4CHRM5ADRA2C

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