SCHEMBL8575502

SCHEMBL8575502

CCCCN1CCC(C2(C)CCCn3c(c(C(N)=O)c4ccccc43)O2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.53
CHRM2 P08172 1/20 0.41
ADRA2B P18089 1/20 0.41
HRH2 P25021 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR7 P34969 1/20 0.40

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
SCHEMBL1077431 0.95 HTR4 (0.50) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL8575712 0.91 HTR4 (0.47) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL8520377 0.90 HTR4 (0.49) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL8521031 0.79 HTR4 (0.46) HTR4HTR7
SCHEMBL8574546 0.76 HTR4 (0.46) HTR4CHRM2ADRA2BHRH1HTR7
SCHEMBL8566824 0.75 HTR4 (0.47) HTR4CHRM2ADRA2BHRH1HTR7
SCHEMBL8575510 0.71 HTR2A (0.41) HTR4HTR2AHTR3A
SCHEMBL5694186 0.70 HTR4 (0.61) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL5806105 0.70 HTR4 (0.73) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7449849 0.70 KDM4E (0.53) HTR4HTR7

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
US-5998409-A GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-12-07 US disclosed