SCHEMBL5553818

SCHEMBL5553818

O=C1CCCN1CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
KCNN4 O15554 1/20 0.47
RAB9A P51151 1/20 0.46
HTR7 P34969 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
LMNA P02545 2/20 0.45
PTGER4 P35408 1/20 0.45
PTGER2 P43116 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TYRO3 Q06418 1/20 0.45

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
SCHEMBL7935783 0.79 SIGMAR1 (0.46) RAB9AHTR7PTGER4PTGER2SMN1; SMN2
SCHEMBL11747882 0.78 SIGMAR1 (0.56) DAOGAAKDM4EALDH1A1TAAR1
SCHEMBL2132367 0.78 L3MBTL1 (0.60) GAAKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL28220510 0.76 MTNR1A (0.43) KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL5788139 0.74 L3MBTL1 (0.52) GAAKMT2ARAB9ASMN1; SMN2HTR1A
SCHEMBL917005 0.73 L3MBTL1 (0.68) GAAKDM4EKMT2AMEN1RAB9A
SCHEMBL20764671 0.73 GAA (0.44) GAAKMT2ARAB9AHTR7DRD3
SCHEMBL20764668 0.73 GAA (0.44) GAAKMT2ARAB9AHTR7DRD3
SCHEMBL30411747 0.73 GAA (0.44) GAAKMT2ARAB9AHTR7DRD3
SCHEMBL13155341 0.72 L3MBTL1 (0.54) GAAKDM4EALDH1A1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 EP disclosed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 EP disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO disclosed