SCHEMBL5501575

SCHEMBL5501575

C=CCN1CCC(c2cccc(OC(F)F)c2C)CC1.CCN1CCC(c2cccc(OC(F)F)c2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.39
HTR6 P50406 7/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR1A P08908 6/20 0.35
DRD3 P35462 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL3772149 0.96 HTR6 (0.39) DRD2HTR6MEN1KMT2AHTR1A
SCHEMBL3772738 0.91 DRD2 (0.45) DRD2HTR6ALDH1A1MEN1KMT2A
SCHEMBL5504551 0.89 DRD2 (0.39) DRD2HTR6ALDH1A1MEN1KMT2A
SCHEMBL5511812 0.88 DRD2 (0.38) DRD2HTR6MEN1KMT2AHTR1A
SCHEMBL5529625 0.85 DRD2 (0.47) DRD2HTR1ASLC6A4
SCHEMBL3778871 0.83 SIGMAR1 (0.39) DRD2MEN1KMT2AHTR1ADRD3
SCHEMBL2782269 0.82 DRD2 (0.36) DRD2MEN1KMT2AHTR1ADRD3
SCHEMBL3764817 0.82 MEN1 (0.38) DRD2MEN1KMT2AHTR1A
SCHEMBL2781304 0.82 DRD2 (0.36) DRD2MEN1KMT2AHTR1ADRD3
SCHEMBL3766504 0.82 DRD2 (0.59) DRD2HTR6DRD3SLC6A4

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-1768958-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-04 EP claimed
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO claimed