SCHEMBL5505609

SCHEMBL5505609

CCCN1CCN(c2cccc(OC(F)(F)F)c2O)CC1.CCN1CCN(c2cccc(OC(F)(F)F)c2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.52
DRD3 P35462 4/20 0.46
KDM2B Q8NHM5 1/20 0.43
HTR1A P08908 1/20 0.43
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL2782009 0.96 DRD2 (0.56) DRD2DRD3HTR1ATSHRMEN1
SCHEMBL2782742 0.94 KDM2B (0.47) DRD2DRD3KDM2BHTR1ATSHR
SCHEMBL5504191 0.85 DRD2 (0.54) DRD2DRD3KDM2BHTR1ATSHR
SCHEMBL2783759 0.84 DRD2 (0.44) DRD2DRD3HTR1AMEN1KMT2A
SCHEMBL2784652 0.83 DRD2 (0.57) DRD2DRD3HTR1ASIGMAR1
SCHEMBL2783380 0.83 DRD2 (0.57) DRD2DRD3HTR1AMEN1KMT2A
SCHEMBL2783658 0.81 DRD2 (0.63) DRD2DRD3HTR1ASIGMAR1
SCHEMBL2783754 0.81 DRD2 (0.56) DRD2DRD3HTR1ASIGMAR1
SCHEMBL5506136 0.80 DRD2 (0.52) DRD2DRD3TSHRSIGMAR1
SCHEMBL2783923 0.80 KDM2B (0.48) DRD2DRD3KDM2BHTR1ATSHR

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-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