SCHEMBL6600804

SCHEMBL6600804

CC(C)(C)OC(=O)N1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 12/20 0.60
HTR1A P08908 11/20 0.60
DRD4 P21917 9/20 0.60
DRD3 P35462 8/20 0.60
DRD2 P14416 9/20 0.55
HTR2A P28223 1/20 0.55
HTR6 P50406 1/20 0.51
HTR2C P28335 3/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL6625410 0.89 DRD2 (0.73) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6600206 0.88 DRD2 (0.71) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6953494 0.88 DRD2 (0.73) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6601681 0.86 DRD2 (0.70) HTR1BHTR1ADRD2HTR2AHTR6
SCHEMBL6603834 0.86 DRD2 (0.71) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6597267 0.85 DRD2 (0.72) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6625693 0.84 HTR1B (0.61) HTR1BHTR1ADRD4DRD3DRD2
SCHEMBL6598945 0.84 DRD2 (0.47) HTR1BDRD2HTR2AHTR6
SCHEMBL6600673 0.84 KCNH2 (0.52)
SCHEMBL6600317 0.84 HTR1B (0.63) 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 2 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 disclosed
WO-2003070723-A1 5-HETEROARYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 2003-08-28 WO disclosed