SCHEMBL5508720

SCHEMBL5508720

C=CCN1CCN(c2cccc(C(=O)C(F)(F)F)c2F)CC1.COCCN1CCN(c2cccc(C(=O)C(F)(F)F)c2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.45
HTR1A P08908 9/20 0.45
DRD3 P35462 7/20 0.45
DRD4 P21917 4/20 0.45
HTR2B P41595 3/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR2A P28223 6/20 0.42
DRD1 P21728 1/20 0.38
HTR2C P28335 1/20 0.38
TTR P02766 1/20 0.37
ADORA2B P29275 1/20 0.36
HTR4 Q13639 1/20 0.36

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
SCHEMBL2784018 0.92 DRD2 (0.48) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL5520714 0.90 KDM4E (0.44) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL2785169 0.90 TTR (0.41) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL2783698 0.83 DRD2 (0.48) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL2782118 0.82 TTR (0.46) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL2782993 0.81 DRD2 (0.44) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL2783579 0.80 DRD2 (0.51) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL2782426 0.80 GAA (0.41) DRD2DRD3KDM4EALDH1A1
SCHEMBL2782660 0.80 DRD2 (0.48) DRD2HTR1ADRD3DRD4HTR2B
SCHEMBL5505222 0.80 DRD2 (0.48) DRD2HTR1ADRD3DRD4HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773772-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-18 EP claimed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO claimed
EP-1773772-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-18 EP disclosed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed