SCHEMBL6625410

SCHEMBL6625410

Cn1cnc(-c2ccc3c(c2)c(C2CCN(C(=O)OC(C)(C)C)CC2)cn3-c2ccc(F)cc2)n1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.73
HTR2A P28223 1/20 0.73
HTR1B P28222 12/20 0.64
HTR1A P08908 11/20 0.64
DRD4 P21917 10/20 0.64
DRD3 P35462 9/20 0.64
HTR2C P28335 3/20 0.58
GPR119 Q8TDV5 1/20 0.53
HTR6 P50406 1/20 0.50
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
SCHEMBL6600804 0.89 HTR1B (0.60) DRD2HTR2AHTR1BHTR1ADRD4
SCHEMBL6953494 0.88 DRD2 (0.73) DRD2HTR2AHTR1BHTR1ADRD4
SCHEMBL6597267 0.87 DRD2 (0.72) DRD2HTR2AHTR1BHTR1ADRD4
SCHEMBL6603834 0.86 DRD2 (0.71) DRD2HTR2AHTR1BHTR1ADRD4
SCHEMBL6625693 0.85 HTR1B (0.61) DRD2HTR2AHTR1BHTR1ADRD4
SCHEMBL6599875 0.84 HTR1B (0.62) DRD2HTR2AHTR1BHTR1ADRD4
SCHEMBL6601681 0.84 DRD2 (0.70) DRD2HTR2AHTR1BHTR1AGPR119
SCHEMBL6600317 0.82 HTR1B (0.63) DRD2HTR2AHTR1BHTR1ADRD4
SCHEMBL6600206 0.82 DRD2 (0.71) DRD2HTR2AHTR1BHTR1ADRD4
SCHEMBL6598945 0.81 DRD2 (0.47) DRD2HTR2AHTR1BHTR6

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