SCHEMBL8294091

SCHEMBL8294091

CC(C)Oc1cc(N)c(Cl)cc1C(=O)NC1CC2CCCC1N2C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.57
HTR3A P46098 4/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DRD2 P14416 1/20 0.49
HTR5A P47898 1/20 0.48
MEN1 O00255 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL7319265 0.90 HTR4 (0.70) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL7330354 0.89 HTR4 (0.69) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL14256387 0.89 HTR4 (0.52) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL4887786 0.79 HTR4 (0.76) HTR4DRD2
SCHEMBL8292934 0.78 HTR3A (0.80) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL4891851 0.78 HTR4 (0.74) HTR4DRD2
SCHEMBL8292933 0.78 HTR4 (0.67) HTR4DRD2
SCHEMBL5426192 0.77 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL4887897 0.77 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL4890493 0.77 HTR4 (0.66) HTR4DRD2

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