SCHEMBL5506136

SCHEMBL5506136

CCCN1CCN(c2cccc(F)c2O)CC1.CCN1CCN(c2cccc(F)c2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.52
DRD3 P35462 3/20 0.52
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2782272 0.96 DRD2 (0.56) DRD2DRD3SIGMAR1KDM4EALDH1A1
SCHEMBL2784944 0.93 ALDH1A1 (0.50) DRD2DRD3KDM4EALDH1A1POLB
SCHEMBL2782952 0.81 DRD2 (0.59) DRD2DRD3SIGMAR1KDM4EALDH1A1
SCHEMBL2781296 0.81 ALDH1A1 (0.49) DRD2KDM4EALDH1A1POLBTSHR
SCHEMBL4960473 0.80 CYP1A2 (0.50) KDM4EALDH1A1POLBTSHRTDP1
SCHEMBL5505609 0.80 DRD2 (0.52) DRD2DRD3SIGMAR1TSHR
SCHEMBL2785237 0.80 DRD2 (0.57) DRD2DRD3SIGMAR1KDM4EALDH1A1
SCHEMBL5502304 0.80 DRD2 (0.38) DRD2DRD3KDM4EALDH1A1TSHR
SCHEMBL2781553 0.78 DRD2 (0.73) DRD2DRD3SIGMAR1KDM4EALDH1A1
SCHEMBL2783817 0.78 DRD2 (0.73) DRD2DRD3SIGMAR1KDM4E

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