SCHEMBL5497410

SCHEMBL5497410

CCCN1CCC(c2cccc(OC(F)F)c2C#N)CC1.CCN1CCC(c2cccc(OC(F)F)c2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.51
SLC6A4 P31645 6/20 0.46
HRH3 Q9Y5N1 1/20 0.41
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR4 Q13639 1/20 0.38
DRD3 P35462 2/20 0.37
HTR6 P50406 2/20 0.37

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
SCHEMBL2783377 0.97 DRD2 (0.54) DRD2SLC6A4HRH3HTR1DHTR2A
SCHEMBL2782294 0.94 DRD2 (0.41) DRD2SLC6A4HRH3DRD3HTR6
SCHEMBL2802234 0.81 DRD2 (0.54) DRD2SLC6A4HRH3HTR1DHTR2A
SCHEMBL3766504 0.81 DRD2 (0.59) DRD2SLC6A4DRD3HTR6
SCHEMBL3761273 0.81 DRD2 (0.59) DRD2SLC6A4
SCHEMBL2781142 0.81 DRD2 (0.39) DRD2DRD3
SCHEMBL3772725 0.80 DRD2 (0.57) DRD2SLC6A4DRD3
SCHEMBL2782469 0.80 DRD2 (0.57) DRD2SLC6A4DRD3HTR6
SCHEMBL2783861 0.80 DRD2 (0.57) DRD2SLC6A4DRD3HTR6
SCHEMBL2783366 0.79 DRD2 (0.41) DRD2SLC6A4HRH3HTR2AHTR2B

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