SCHEMBL8566099

SCHEMBL8566099

CN(C)C(=O)CC1CCOc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
PTGDR2 Q9Y5Y4 6/20 0.39
SSTR4 P31391 1/20 0.39
BDKRB1 P46663 1/20 0.38
KCNH2 Q12809 2/20 0.38
KDM6B O15054 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
DRD2 P14416 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8143471 0.83 PPARD (0.46) PTGDR2
SCHEMBL29960528 0.83 PPARD (0.46) PTGDR2
SCHEMBL8144705 0.81 KDM4C (0.37) PTGDR2KDM4CGAA
SCHEMBL10407804 0.81 SSTR4 (0.38) PTGDR2SSTR4BDKRB1KCNH2
SCHEMBL29960371 0.81 POLB (0.45) PTGDR2SSTR4KCNH2GAA
SCHEMBL8820478 0.81 SSTR4 (0.42) PTGDR2SSTR4BDKRB1USP2
SCHEMBL3596582 0.81 POLB (0.45) PTGDR2SSTR4KCNH2GAA
SCHEMBL27782958 0.80 PSMB5 (0.39) PTGDR2SSTR4BDKRB1KCNH2KDM4C
SCHEMBL8563821 0.79 HTR1A (0.35) LTA4HPTGDR2KDM4CDRD2HTR2A
SCHEMBL28452015 0.78 P2RX7 (0.41) LTA4HSSTR4MEN1USP2KMT2A

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
US-5756496-A Amide derivatives having 5HT1D-antagonist activity SMITHKLINE BEECHAM P.L.C. (GB) 1998-05-26 US disclosed
EP-0763034-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-03-19 EP disclosed
WO-1995032967-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-12-07 WO disclosed