SCHEMBL13634963

SCHEMBL13634963

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 13/20 0.61
ADRA1B P35368 2/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54
HTR1D P28221 1/20 0.54
HTR2B P41595 1/20 0.54
HTR3A P46098 1/20 0.54
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
POLB P06746 1/20 0.52
MCHR1 Q99705 1/20 0.50
DRD4 P21917 1/20 0.49

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 0.88 HTR4 (0.56) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL1560209 0.87 HTR4 (0.64) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL12825887 0.87 HTR4 (0.66) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL12893569 0.87 HTR4 (0.54) HTR4ADRA2CHTR2BHTR3AADRA1A
SCHEMBL1560567 0.87 HTR4 (0.60) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL1560585 0.86 HTR4 (0.58) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL1560183 0.85 HTR4 (0.63) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL13634741 0.85 HTR4 (0.51) HTR4ADRA1BCHRM4CHRM5ADRA2C
SCHEMBL738237 0.84 HTR4 (0.53) HTR4MCHR1
SCHEMBL12377356 0.83 HTR4 (0.53) 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