SCHEMBL6597267

SCHEMBL6597267

Cn1ccc(-c2ccc3c(c2)c(C2CCN(C(=O)OC(C)(C)C)CC2)cn3-c2ccc(F)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.72
HTR1B P28222 13/20 0.61
HTR1A P08908 12/20 0.61
DRD4 P21917 6/20 0.61
DRD3 P35462 5/20 0.61
HTR2A P28223 1/20 0.53
HTR6 P50406 1/20 0.51
HTR2C P28335 2/20 0.49
HRH1 P35367 1/20 0.49

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
SCHEMBL6625693 0.89 HTR1B (0.61) DRD2HTR1BHTR1ADRD4DRD3
SCHEMBL6603834 0.88 DRD2 (0.71) DRD2HTR1BHTR1ADRD4DRD3
SCHEMBL6625410 0.87 DRD2 (0.73) DRD2HTR1BHTR1ADRD4DRD3
SCHEMBL6953494 0.86 DRD2 (0.73) DRD2HTR1BHTR1ADRD4DRD3
SCHEMBL6600804 0.85 HTR1B (0.60) DRD2HTR1BHTR1ADRD4DRD3
SCHEMBL6601681 0.85 DRD2 (0.70) DRD2HTR1BHTR1AHTR2AHTR6
SCHEMBL6600317 0.84 HTR1B (0.63) DRD2HTR1BHTR1ADRD4DRD3
SCHEMBL6599875 0.84 HTR1B (0.62) DRD2HTR1BHTR1ADRD4DRD3
SCHEMBL6600206 0.83 DRD2 (0.71) DRD2HTR1BHTR1ADRD4DRD3
SCHEMBL6598945 0.83 DRD2 (0.47) DRD2HTR1BHTR2AHTR6

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