SCHEMBL5505529

SCHEMBL5505529

C=CCN1CCN(c2cccc(OC(F)F)c2O)CC1.CCCN1CCN(c2cccc(OC(F)F)c2N)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.42
DRD3 P35462 4/20 0.38
HTR1A P08908 2/20 0.36
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 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
SCHEMBL2784305 0.87 MAPT (0.39) ADRA1DADRA1AADRA1BMEN1TSHR
SCHEMBL2783449 0.87 MAPT (0.37) DRD2ADRA1DADRA1AADRA1B
SCHEMBL2784296 0.86 DRD2 (0.56) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL2783851 0.86 DRD2 (0.56) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL5522338 0.80 DRD2 (0.37) DRD2DRD3HTR1A
SCHEMBL2781685 0.77 DRD2 (0.42) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL2782566 0.77 MEN1 (0.44) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2783740 0.76 HTR6 (0.43) ADRA1DADRA1AADRA1BTSHR
SCHEMBL3105655 0.76 DRD4 (0.41) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL2782561 0.75 DRD2 (0.44) DRD2DRD3HTR1AADRA1DADRA1A

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