SCHEMBL7036633

SCHEMBL7036633

CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Oc1nc(OCCN2CCOCC2)ncc1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.42
SIGMAR1 Q99720 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HTR2A P28223 2/20 0.38
KCNH2 Q12809 1/20 0.38
SCD O00767 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
CCR2 P41597 1/20 0.37
TACR3 P29371 1/20 0.37
HTR2C P28335 1/20 0.37
CETP P11597 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL6871717 0.91 TACR1 (0.46) TACR1SCDMAPK14TACR3
SCHEMBL7039564 0.86 TACR1 (0.41) TACR1SGMS2CETP
SCHEMBL7039431 0.85 TACR1 (0.41) TACR1SGMS2CETP
SCHEMBL6016582 0.82 TACR1 (0.44) TACR1HTR2AKCNH2SCDMAPK13
SCHEMBL7042999 0.81 TACR1 (0.62) TACR1SGMS2
SCHEMBL6016561 0.77 TACR1 (0.52) TACR1SGMS2CETP
SCHEMBL6870660 0.76 TACR1 (0.52) TACR1
SCHEMBL6871260 0.76 TACR1 (0.51) TACR1
SCHEMBL6869431 0.76 TACR1 (0.52) TACR1TACR3
SCHEMBL7045412 0.75 SYK (0.43) TACR1CCR2CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187814-B1 5-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-18 EP claimed