SCHEMBL5503773

SCHEMBL5503773

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
HTR1A P08908 2/20 0.34
HTR2B P41595 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5503076 0.92 DRD2 (0.38) DRD2HTR2AHRH1DRD4DRD3
SCHEMBL5500490 0.87 DRD4 (0.34) DRD2HTR2AHRH1DRD4DRD3
SCHEMBL2782274 0.84 DRD2 (0.47) DRD2HTR2AHRH1DRD4DRD3
SCHEMBL5509702 0.82 DRD2 (0.37) DRD2HTR2AHRH1DRD4DRD3
SCHEMBL2781886 0.82 MAPT (0.41) DRD2HTR2AHRH1DRD4DRD3
SCHEMBL2783918 0.81 DRD2 (0.44) DRD2HTR2AHRH1DRD4DRD3
SCHEMBL2782501 0.80 HTR1A (0.43) DRD2HTR2AHRH1DRD4DRD3
SCHEMBL5505305 0.79 DRD2 (0.37) DRD2HTR2AHRH1DRD4DRD3
SCHEMBL2783702 0.79 DRD2 (0.41) DRD2HTR2AHRH1DRD4DRD3
SCHEMBL5522908 0.79 DRD4 (0.38) DRD2HTR2AHRH1DRD4DRD3

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