SCHEMBL5519082

SCHEMBL5519082

CCCN1CCN(c2cccc(C(=O)C(F)(F)F)c2C)CC1.CCN1CCN(c2cccc(C(=O)C(F)(F)F)c2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
DRD3 P35462 2/20 0.45
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
HTR2A P28223 6/20 0.41
HTR2C P28335 6/20 0.41
SLC6A4 P31645 6/20 0.41
ALDH1A1 P00352 3/20 0.40
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
REV1 Q9UBZ9 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL2783650 0.96 DRD2 (0.48) DRD2DRD3MAPTTP53HTR2A
SCHEMBL2783413 0.94 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2AREV1
SCHEMBL5504103 0.88 DRD2 (0.45) DRD2DRD3HTR2AHTR2CALDH1A1
SCHEMBL5501574 0.84 DRD2 (0.42) DRD2DRD3HTR2AHTR2CHTR6
SCHEMBL2782660 0.84 DRD2 (0.48) DRD2DRD3HTR2AHTR2CALDH1A1
SCHEMBL2782993 0.84 DRD2 (0.44) DRD2DRD3HTR2AHTR2CSLC6A4
SCHEMBL2784733 0.83 DRD2 (0.60) DRD2DRD3HTR2AHTR2CKCNH2
SCHEMBL2782086 0.82 TTR (0.46) DRD2DRD3ALDH1A1HTR6
SCHEMBL2783748 0.81 DRD2 (0.52) DRD2DRD3MAPTTP53HTR2A
SCHEMBL2781614 0.81 DRD2 (0.47) DRD2DRD3HTR2AHTR2C

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