SCHEMBL5501574

SCHEMBL5501574

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.42
DRD3 P35462 5/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTR6 P50406 2/20 0.38
DRD4 P21917 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CHRM4 P08173 1/20 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
SCHEMBL2783101 0.97 DRD2 (0.44) DRD2DRD3LMNAGAAHTR6
SCHEMBL2781967 0.94 NPC1 (0.40) DRD2DRD3GAAHTR6DRD4
SCHEMBL2781214 0.85 DRD2 (0.44) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5519082 0.84 DRD2 (0.45) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL5504103 0.84 DRD2 (0.45) DRD2DRD3HTR6DRD4NPC1
SCHEMBL2781951 0.83 DRD2 (0.48) DRD2DRD3LMNAGAAHTR6
SCHEMBL2783650 0.81 DRD2 (0.48) DRD2DRD3HTR6DRD4HTR1A
SCHEMBL2782660 0.81 DRD2 (0.48) DRD2DRD3HTR6DRD4HTR1A
SCHEMBL2781983 0.81 MAPT (0.41) DRD2DRD3GAADRD4NPC1
SCHEMBL2782487 0.81 CHRM1 (0.45) DRD2DRD3GAADRD4NPC1

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