SCHEMBL6603834

SCHEMBL6603834

Cn1cc(-c2ccc3c(c2)c(C2CCN(C(=O)OC(C)(C)C)CC2)cn3-c2ccc(F)cc2)cn1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.71
HTR1B P28222 8/20 0.60
HTR1A P08908 7/20 0.60
HTR6 P50406 1/20 0.56
HTR2A P28223 1/20 0.52
GPR119 Q8TDV5 1/20 0.51
RET P07949 1/20 0.49
POLB P06746 1/20 0.47
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46

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
SCHEMBL6601681 0.89 DRD2 (0.70) DRD2HTR1BHTR1AHTR6HTR2A
SCHEMBL6597267 0.88 DRD2 (0.72) DRD2HTR1BHTR1AHTR6HTR2A
SCHEMBL6625693 0.87 HTR1B (0.61) DRD2HTR1BHTR1AHTR6HTR2A
SCHEMBL6600206 0.87 DRD2 (0.71) DRD2HTR1BHTR1AHTR6HTR2A
SCHEMBL6600317 0.86 HTR1B (0.63) DRD2HTR1BHTR1AHTR6HTR2A
SCHEMBL6625410 0.86 DRD2 (0.73) DRD2HTR1BHTR1AHTR6HTR2A
SCHEMBL6600804 0.86 HTR1B (0.60) DRD2HTR1BHTR1AHTR6HTR2A
SCHEMBL6953494 0.85 DRD2 (0.73) DRD2HTR1BHTR1AHTR6HTR2A
SCHEMBL6599875 0.85 HTR1B (0.62) DRD2HTR1BHTR1AHTR6HTR2A
SCHEMBL6598945 0.83 DRD2 (0.47) DRD2HTR1BHTR6HTR2APOLB

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