SCHEMBL5506986

SCHEMBL5506986

C=CCN1CCC(c2cccc(F)c2C(F)(F)F)CC1.CCCN1CCC(c2cccc(F)c2C(F)(F)F)CC1.CCN1CCC(c2cccc(F)c2C(F)(F)F)CC1.COCCN1CCC(c2cccc(F)c2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 12/20 0.47
DRD2 P14416 4/20 0.42
SLC6A4 P31645 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL2783595 0.85 RBP4 (0.58) RBP4DRD2
SCHEMBL5501124 0.85 DRD2 (0.52) RBP4DRD2SLC6A4
SCHEMBL2783494 0.83 RBP4 (0.43) RBP4
SCHEMBL5533630 0.82 DRD2 (0.39) RBP4DRD2SLC6A4DCUN1D1
SCHEMBL5502093 0.82 DRD2 (0.39) RBP4DRD2SLC6A4
SCHEMBL2781457 0.82 DRD2 (0.56) RBP4DRD2SLC6A4
SCHEMBL5499738 0.81 DRD2 (0.38) RBP4DRD2SLC6A4
SCHEMBL2782833 0.80 RBP4 (0.54) RBP4DRD2
SCHEMBL5502922 0.80 DRD2 (0.39) RBP4DRD2SLC6A4
SCHEMBL5502925 0.79 RBP4 (0.38) RBP4DRD2SLC6A4

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