SCHEMBL5505574

SCHEMBL5505574

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.36
DRD2 P14416 14/20 0.36
HTR2A P28223 10/20 0.36
HTR1A P08908 9/20 0.36
DRD3 P35462 7/20 0.35
HTR2C P28335 3/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
HTR2B P41595 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 1/20 0.34
SLC6A4 P31645 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
SCHEMBL5532366 1.00 P2RX7 (0.36) P2RX7DRD2HTR2AHTR1ADRD3
SCHEMBL5503520 0.87 DRD2 (0.40) DRD2HTR2AHTR1ADRD3HTR2C
SCHEMBL5509702 0.84 DRD2 (0.37) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL5504086 0.83 DRD2 (0.35) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL5502634 0.82 DRD2 (0.45) DRD2HTR2AHTR1ADRD3HTR2C
SCHEMBL5525414 0.79 DRD2 (0.39) DRD2HTR2AHTR1ADRD3HTR2C
SCHEMBL5503076 0.78 DRD2 (0.38) DRD2HTR2AHTR1ADRD3HTR2C
SCHEMBL5500490 0.78 DRD4 (0.34) DRD2HTR2AHTR1ADRD3HTR2C
SCHEMBL5505222 0.76 DRD2 (0.48) DRD2HTR2AHTR1ADRD3HTR2C
SCHEMBL5530772 0.75 DRD2 (0.35) DRD2HTR2AHTR1ADRD3HTR2C

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