SCHEMBL6601702

SCHEMBL6601702

Cn1nncc1-c1ccc2c(c1)c(C1CCN(CCC#N)CC1)cn2-c1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 16/20 0.75
HTR1A P08908 15/20 0.75
DRD4 P21917 4/20 0.71
DRD3 P35462 4/20 0.71
DRD2 P14416 6/20 0.57
HTR2C P28335 2/20 0.55
HRH1 P35367 2/20 0.55
HTR6 P50406 1/20 0.54

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
SCHEMBL6600863 0.87 DRD2 (0.76) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6598730 0.83 HTR1B (0.74) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6601161 0.83 HTR1B (0.68) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6598143 0.83 HTR1A (1.00) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6599312 0.82 HTR1B (0.77) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6600165 0.82 HTR1A (0.76) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6598273 0.82 HTR1A (1.00) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6599135 0.81 HTR1A (0.67) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6598821 0.81 HTR1B (0.65) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6601138 0.81 HTR1B (0.65) HTR1BHTR1ADRD4DRD3DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478643-A1 5-HETEROARYL SUBSTITUTED INDOLES H. Lundbeck A/S (DK) 2004-11-24 EP claimed
WO-2003070723-A1 5-HETEROARYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 2003-08-28 WO claimed
EP-1478643-A1 5-HETEROARYL SUBSTITUTED INDOLES H. Lundbeck A/S (DK) 2004-11-24 EP disclosed
WO-2003070723-A1 5-HETEROARYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 2003-08-28 WO disclosed