SCHEMBL7348115

SCHEMBL7348115

CC1(C)CCN(CCC(=O)c2ccc(I)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
ACKR3 P25106 6/20 0.45
HTR7 P34969 1/20 0.37
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
HTR1A P08908 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7352017 0.86 DRD2 (0.44) DRD2ACKR3MAP2K2MAP2K1HTR1A
SCHEMBL7352126 0.85 ALDH1A1 (0.47) DRD2ACKR3MAP2K2MAP2K1ALDH1A1
SCHEMBL7344636 0.85 DRD2 (0.47) DRD2ACKR3HTR1ADRD3ALDH1A1
SCHEMBL7353056 0.84 DRD2 (0.46) DRD2ACKR3HTR7HTR1ADRD4
SCHEMBL7353966 0.79 ACKR3 (0.38) DRD2ACKR3HTR7MAP2K2MAP2K1
SCHEMBL7353206 0.79 DRD2 (0.46) DRD2ACKR3HTR7HTR1ADRD4
SCHEMBL7344816 0.74 MAPT (0.40) ACKR3MAP2K2MAP2K1ALDH1A1HSD17B10
SCHEMBL7354269 0.73 DRD2 (0.63) DRD2HTR7HTR1ADRD4DRD3
SCHEMBL7348281 0.72 SIGMAR1 (0.34) DRD2HTR1ADRD3SIGMAR1
SCHEMBL7353482 0.72 DRD2 (0.44) DRD2ACKR3HTR1ADRD3SIGMAR1

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