SCHEMBL10143839

SCHEMBL10143839

COc1cc(C(=O)NC2CCN(CCCC(N)C(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.55
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
HTR1D P28221 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR2B P41595 1/20 0.49
HTR3A P46098 1/20 0.49
MCHR1 Q99705 3/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL13635104 0.86 HTR4 (0.56) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL10143828 0.82 HTR4 (0.49) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13634963 0.81 HTR4 (0.61) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL1560209 0.80 HTR4 (0.64) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL12825887 0.80 HTR4 (0.66) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13667126 0.80 HTR4 (0.53) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL12377356 0.80 HTR4 (0.53) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL12376478 0.80 HTR4 (0.49) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL1560567 0.80 HTR4 (0.60) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL1560585 0.79 HTR4 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO disclosed