SCHEMBL8295294

SCHEMBL8295294

CC(C)Oc1cc(N)c(Cl)cc1C(=O)NC(C)C1CCCCN1C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.47
DRD2 P14416 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44

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
SCHEMBL8803576 0.74 HTR4 (0.54) HTR4HTR3A
SCHEMBL8294091 0.73 HTR4 (0.57) HTR4DRD2HTR3EHTR3BHTR3A
SCHEMBL4887786 0.71 HTR4 (0.76) HTR4DRD2
SCHEMBL8292934 0.71 HTR3A (0.80) DRD2HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4891851 0.71 HTR4 (0.74) HTR4DRD2
SCHEMBL8292933 0.70 HTR4 (0.67) HTR4DRD2
SCHEMBL22987085 0.70 GAA (0.72) HTR4DRD2HTR3EHTR3BHTR3A
SCHEMBL8247499 0.70 GAA (0.68) HTR4DRD2HTR3EHTR3BHTR3A
SCHEMBL9766465 0.69 HTR4 (0.61) HTR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL8295293 0.69 HTR4 (0.57) HTR4DRD2HTR3A

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
WO-2005007600-A2 NOVEL METHODS USING AMINOBENZOIC ACID COMPOUNDS EISAI CO., LTD. (JP) 2005-01-27 WO disclosed