SCHEMBL6580218

SCHEMBL6580218

O=C1c2ccccc2C(=O)N1CCN1CCN(c2cc(Cl)ccc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 5/20 0.58
ADRA1D P25100 3/20 0.58
ADRA1A P35348 3/20 0.58
DRD2 P14416 3/20 0.57
DRD3 P35462 3/20 0.57
HTR1A P08908 2/20 0.55
DRD4 P21917 2/20 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
SCHEMBL6577731 0.86 ADRA1B (0.76) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL21802161 0.84 DRD2 (0.66) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL22125572 0.81 ADRA1B (0.73) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL21802151 0.80 DRD2 (0.70) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL2315895 0.80 ADRA1D (0.73) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL2510367 0.80 ADRA1D (0.73) ADRA1BADRA1DADRA1ADRD2DRD3
Hydrochloric Acid SCHEMBL9987656 0.79 ADRA1D (0.72) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL12223771 0.78 DRD3 (0.68) DRD2DRD3
SCHEMBL21802088 0.78 DRD2 (0.83) ADRA1BADRA1DADRA1ADRD2DRD3
SCHEMBL9026888 0.78 DRD2 (0.79) ADRA1BADRA1DADRA1ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200406-B1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI CHEM PHARM (IT) 2004-11-24 EP disclosed