SCHEMBL8461663

SCHEMBL8461663

CCCCN1CCC(C2(C)COc3c(C(N)=O)cc(Cl)c(N)c3O2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.54
HTR2C P28335 5/20 0.54
HTR3A P46098 5/20 0.54
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA1A P35348 5/20 0.53
ADRA2C P18825 4/20 0.53
HTR1D P28221 3/20 0.53
HTR2B P41595 3/20 0.53
ADRA2A P08913 3/20 0.53
HTR2A P28223 3/20 0.53
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
HRH1 P35367 1/20 0.53

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
SCHEMBL7404754 0.93 HTR4 (0.54) HTR4HTR2CHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL7399148 0.92 HTR2C (0.54) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL8317705 0.80 HTR4 (0.41) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL7401623 0.79 HTR4 (0.52) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL7398142 0.77 HTR4 (0.46) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL7395283 0.76 HTR4 (0.39) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL7400000 0.76 HTR4 (0.58) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL8465398 0.75 HTR2C (0.37) HTR4HTR2CHTR3AHTR3EHTR3B
Iodide SCHEMBL7399142 0.75 HTR2C (0.37) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL8462968 0.72 HTR4 (0.45) HTR4HTR2CHTR3AHTR3EHTR3B

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
EP-0604494-B1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-07-28 EP claimed