SCHEMBL5504191

SCHEMBL5504191

CCCN1CCN(c2cccc(OC(F)(F)F)c2NNc2c(OC(F)(F)F)cccc2N2CCN(CC)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.54
DRD3 P35462 3/20 0.46
HTR1A P08908 1/20 0.45
KDM2B Q8NHM5 1/20 0.43
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
TSHR P16473 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
SCHEMBL5502094 0.90 DRD2 (0.45) DRD2DRD3HTR1AKDM2BADRA1D
SCHEMBL5505609 0.85 DRD2 (0.52) DRD2DRD3HTR1AKDM2BTSHR
SCHEMBL2784652 0.82 DRD2 (0.57) DRD2DRD3HTR1A
SCHEMBL2783380 0.82 DRD2 (0.57) DRD2DRD3HTR1A
SCHEMBL2783658 0.81 DRD2 (0.63) DRD2DRD3HTR1A
SCHEMBL2783754 0.81 DRD2 (0.56) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL2782009 0.81 DRD2 (0.56) DRD2DRD3HTR1ATSHR
SCHEMBL2783923 0.79 KDM2B (0.48) DRD2DRD3HTR1AKDM2BTSHR
SCHEMBL2781774 0.79 KDM2B (0.48) DRD2DRD3HTR1AKDM2BTSHR
SCHEMBL2782967 0.78 DRD2 (0.48) DRD2DRD3HTR1AKDM2BTSHR

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 disclosed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed