SCHEMBL21760359

SCHEMBL21760359

CCC(O)OCCCN(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
HRH3 Q9Y5N1 3/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 4/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
BCHE P06276 3/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2C P18825 1/20 0.34
HRH2 P25021 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL7751447 0.87 TSHR (0.40) CHRM2CHRM4CHRM1CHRM3HRH3
SCHEMBL22503904 0.81 TSHR (0.39) HRH3TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL10821575 0.81 HRH3 (0.41) CHRM2CHRM4CHRM1CHRM3HRH3
SCHEMBL8137531 0.79 TSHR (0.50) TSHRALDH1A1
SCHEMBL10283693 0.78 CHRM2 (0.37) CHRM2CHRM4CHRM1CHRM3HRH3
SCHEMBL10284446 0.77 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3HRH3
SCHEMBL12028002 0.76 KDM4E (0.42) CHRM2CHRM4CHRM1CHRM3HRH3
SCHEMBL22877646 0.75 KDM4E (0.40) TSHRKDM4ELMNACYP1A2CYP2D6
SCHEMBL39317 0.75
SCHEMBL27325270 0.75 HRH3 (0.35) CHRM2CHRM4CHRM1CHRM3HRH3

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-2020040507-A1 QUANTUM DOT NANOCAPSULE AND METHOD FOR PREPARING SAME 고려대학교 세종산학협력단 2020-02-27 WO disclosed