SCHEMBL5509702

SCHEMBL5509702

C=CCN1CCN(c2cccc(C(C)=O)c2F)CC1.CCCN1CCN(c2cccc(C(C)=O)c2C#N)CC1.CCCN1CCN(c2cccc(C(C)=O)c2F)CC1.CCN1CCN(c2cccc(C(C)=O)c2F)CC1.COCCN1CCN(c2cccc(C(C)=O)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.37
HTR2A P28223 5/20 0.37
HRH1 P35367 1/20 0.37
HTR1A P08908 6/20 0.37
DRD4 P21917 4/20 0.37
DRD3 P35462 3/20 0.37
HTR2B P41595 2/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPT P10636 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
SCHEMBL5503520 0.91 DRD2 (0.40) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL5502634 0.85 DRD2 (0.45) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL5505574 0.84 P2RX7 (0.36) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL5532366 0.84 P2RX7 (0.36) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL2784187 0.83 DRD2 (0.45) DRD2HTR2AHRH1HTR1ADRD4
SCHEMBL5503773 0.82 DRD2 (0.37) DRD2HTR2AHRH1HTR1ADRD4
SCHEMBL5522908 0.82 DRD4 (0.38) DRD2HTR2AHRH1HTR1ADRD4
SCHEMBL2784938 0.81 MAPT (0.44) DRD2HTR2ADRD4DRD3HSD17B10
SCHEMBL5505305 0.81 DRD2 (0.37) DRD2HTR2AHRH1HTR1ADRD4
SCHEMBL5504389 0.81 DRD2 (0.37) DRD2HTR2AHRH1HTR1ADRD4

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