SCHEMBL7499677

SCHEMBL7499677

CCCCN1CCC(Cc2nc(CC)n3cccc(C(=O)O)c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
CHRM1 P11229 2/20 0.41
HTR1A P08908 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HTR4 Q13639 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
SCHEMBL8575364 0.71 KCNH2 (0.46) KCNH2CHRM1HTR1ACHRM2CHRM4
Hydrochloric Acid SCHEMBL7325637 0.71 KCNH2 (0.45) KCNH2CHRM1HTR1ACHRM2CHRM4
SCHEMBL9341414 0.69 KCNH2 (0.48) KCNH2DRD4HTR4
SCHEMBL7333317 0.69 HTR4 (0.45) KCNH2CHRM1HTR1ACHRM2CHRM4
SCHEMBL7346874 0.68 KCNH2 (0.46) KCNH2HTR4
SCHEMBL7346871 0.66 KCNH2 (0.46) KCNH2DRD4
SCHEMBL7383392 0.65 KCNH2 (0.51) KCNH2DRD4
SCHEMBL153896 0.65 KCNH2 (0.88) KCNH2
SCHEMBL9344322 0.65 KCNH2 (0.48) KCNH2DRD4HTR4
SCHEMBL11938940 0.64 KCNH2 (0.55) KCNH2HTR1AHTR2AHTR2CHTR2B

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-0609278-A1 IMIDAZOPYRIDINES AND INDOLIZINES AS 5-HT 4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-08-10 EP disclosed
WO-1993008187-A1 IMIDAZOPYRIDINES AND INDOLIZINES AS 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-04-29 WO disclosed