SCHEMBL5505250

SCHEMBL5505250

C=CCN1CCC(c2cccc(C(F)(F)F)c2C)CC1.C=CCN1CCC(c2cccc(F)c2C#N)CC1.CCCN1CCC(c2cccc(C(F)(F)F)c2C)CC1.CCCN1CCC(c2cccc(F)c2C#N)CC1.CCN1CCC(c2cccc(F)c2C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.37
SLC6A4 P31645 3/20 0.37
HTR2C P28335 2/20 0.34
HTR7 P34969 2/20 0.34
HTR2B P41595 2/20 0.34
HTR3A P46098 2/20 0.34
HTR4 Q13639 2/20 0.34
DRD3 P35462 2/20 0.33
GRM2 Q14416 2/20 0.33
HTR1A P08908 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MCHR1 Q99705 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL5513017 0.95 DRD2 (0.37) DRD2SLC6A4HTR2CHTR7HTR2B
SCHEMBL2784637 0.81 DRD3 (0.42) DRD2SLC6A4HTR2CDRD3GRM2
SCHEMBL2783024 0.81 DRD2 (0.44) DRD2DRD3GRM2
SCHEMBL5499738 0.80 DRD2 (0.38) DRD2SLC6A4HTR2CHTR7HTR2B
SCHEMBL5502949 0.80 RBP4 (0.38) DRD3GRM2
SCHEMBL2783825 0.80 DRD2 (0.41) DRD2HTR2CDRD3GRM2L3MBTL1
SCHEMBL2784006 0.80 DRD2 (0.54) DRD2SLC6A4HTR2CHTR7HTR2B
SCHEMBL5506620 0.79 DRD2 (0.44) DRD2SLC6A4DRD3
SCHEMBL2781688 0.79 DRD2 (0.51) DRD2SLC6A4DRD3GRM2HRH3
SCHEMBL2785313 0.79 DRD2 (0.56) DRD2SLC6A4DRD3GRM2

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