SCHEMBL7353056

SCHEMBL7353056

CC1(C)CCN(CCC(=O)c2ccc(F)cc2I)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.46
ACKR3 P25106 2/20 0.43
HTR7 P34969 1/20 0.41
HTR1A P08908 3/20 0.41
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL7350499 0.88 DRD2 (0.44) DRD2ACKR3HTR1ADRD3
SCHEMBL7344193 0.87 ALDH1A1 (0.47) DRD2ACKR3HTR1A
SCHEMBL7353206 0.85 DRD2 (0.46) DRD2ACKR3HTR7HTR1ADRD4
SCHEMBL7348115 0.84 DRD2 (0.47) DRD2ACKR3HTR7HTR1ADRD4
SCHEMBL7354269 0.80 DRD2 (0.63) DRD2HTR7HTR1ADRD4DRD3
SCHEMBL7344636 0.79 DRD2 (0.47) DRD2ACKR3HTR1ADRD3
SCHEMBL7354659 0.79 HTR1A (0.38) DRD2ACKR3HTR7HTR1ADRD3
SCHEMBL10745051 0.76 DRD2 (0.81) DRD2HTR7HTR1ADRD4DRD3
SCHEMBL7353631 0.75 MAPT (0.38) DRD2ACKR3
SCHEMBL10692044 0.73 DRD2 (0.73) DRD2DRD4DRD3

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-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP claimed
EP-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP disclosed