SCHEMBL9474371

SCHEMBL9474371

COc1cc(N)c(Cl)cc1C(=O)NCC12CCCN(CCC1)C2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.64
HTR3B O95264 4/20 0.64
HTR3A P46098 4/20 0.64
HTR3D Q70Z44 4/20 0.64
HTR3C Q8WXA8 4/20 0.64
HTR4 Q13639 6/20 0.59
DRD2 P14416 2/20 0.54
NPSR1 Q6W5P4 1/20 0.52
SLC22A1 O15245 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MPO P05164 1/20 0.51
CYP1A2 P05177 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD4 P21917 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL9458342 0.98 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458047 0.90 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458245 0.87 DRD4 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458602 0.86 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458257 0.86 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9474052 0.84 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458438 0.84 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7401541 0.83 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458362 0.83 DRD2 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8827543 0.82 HTR3A (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C

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-5244907-A Treatment of serotonin imbalance, increase in gastric motility, antiemetics, antiarrhythmia agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-09-14 US disclosed