SCHEMBL5503076

SCHEMBL5503076

C=CCN1CCN(c2cccc(C(O)C(F)(F)F)c2C#N)CC1.C=CCN1CCN(c2cccc(C(O)C(F)(F)F)c2Cl)CC1.CCCN1CCN(c2cccc(C(O)C(F)(F)F)c2Cl)CC1.CCN1CCN(c2cccc(C(O)C(F)(F)F)c2Cl)CC1.COCCN1CCN(c2cccc(C(O)C(F)(F)F)c2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.38
DRD3 P35462 12/20 0.38
HTR2A P28223 8/20 0.35
HRH1 P35367 1/20 0.35
HTR1A P08908 7/20 0.34
DRD4 P21917 5/20 0.34
HTR2C P28335 3/20 0.34
DRD1 P21728 2/20 0.34
HTR2B P41595 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL5500490 0.95 DRD4 (0.34) DRD2DRD3HTR2AHRH1HTR1A
SCHEMBL5503773 0.92 DRD2 (0.37) DRD2DRD3HTR2AHRH1HTR1A
SCHEMBL2782274 0.83 DRD2 (0.47) DRD2DRD3HTR2AHRH1HTR1A
SCHEMBL5525414 0.83 DRD2 (0.39) DRD2DRD3HTR2AHRH1HTR1A
SCHEMBL2781886 0.81 MAPT (0.41) DRD2DRD3HTR2AHRH1DRD4
SCHEMBL5503520 0.81 DRD2 (0.40) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL2783918 0.80 DRD2 (0.44) DRD2DRD3HTR2AHRH1DRD4
SCHEMBL2781778 0.80 DRD2 (0.46) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL2782453 0.79 DRD2 (0.44) DRD2DRD3DRD4
SCHEMBL2783702 0.79 DRD2 (0.41) DRD2DRD3HTR2AHRH1HTR1A

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