SCHEMBL8520377

SCHEMBL8520377

CCCCN1CCC(C2(C)Cn3c(c(C(N)=O)c4ccccc43)O2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.49
HTR7 P34969 3/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2B P18089 1/20 0.38
HRH2 P25021 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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 0.92 HTR4 (0.50) HTR4HTR7CHRM2ADRA2BHRH2
SCHEMBL8575502 0.90 HTR4 (0.53) HTR4HTR7CHRM2ADRA2BHRH2
SCHEMBL8575712 0.88 HTR4 (0.47) HTR4HTR7CHRM2ADRA2BHRH2
SCHEMBL8566824 0.79 HTR4 (0.47) HTR4HTR7KDM4EALDH1A1PMP22
SCHEMBL8521031 0.79 HTR4 (0.46) HTR4HTR7KDM4EALDH1A1PMP22
SCHEMBL8574546 0.77 HTR4 (0.46) HTR4HTR7KDM4EALDH1A1PMP22
SCHEMBL7449849 0.72 KDM4E (0.53) HTR4HTR7KDM4EALDH1A1PMP22
SCHEMBL8575510 0.71 HTR2A (0.41) HTR4HTR2AHTR3A
SCHEMBL1077434 0.70 HTR2A (0.39) HTR4HTR2A
SCHEMBL8575716 0.69 HTR2A (0.38) HTR4HTR2A

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