SCHEMBL5502925

SCHEMBL5502925

C=CCN1CCC(c2cccc(F)c2NNc2c(F)cccc2C2CCN(CCOC)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.38
DRD2 P14416 9/20 0.38
DRD3 P35462 5/20 0.37
HTR2A P28223 4/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
KDM1A O60341 1/20 0.36
HRH2 P25021 2/20 0.36
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 0.35
HTR1A P08908 3/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL5502922 0.86 DRD2 (0.39) RBP4DRD2DRD3HTR2AHRH2
SCHEMBL5506986 0.79 RBP4 (0.47) RBP4DRD2SLC6A4
SCHEMBL5502093 0.76 DRD2 (0.39) RBP4DRD2DRD3HRH2SLC6A4
SCHEMBL2782455 0.76 RBP4 (0.47) RBP4DRD2DRD3HTR2AKDM1A
SCHEMBL2782898 0.76 DRD2 (0.45) RBP4DRD2DRD3HTR2AKDM1A
SCHEMBL5502725 0.76 DRD2 (0.40) RBP4DRD2DRD3HTR2AHRH2
SCHEMBL3774685 0.75 DRD4 (0.41) DRD2DRD3SLC6A4GRM2
SCHEMBL3766106 0.75 SIGMAR1 (0.44) DRD2DRD3SLC6A4HTR1AGRM2
SCHEMBL5501370 0.75 DRD2 (0.43) DRD2DRD3HTR2AHTR1A
SCHEMBL5499738 0.74 DRD2 (0.38) RBP4DRD2DRD3HTR2AHRH2

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