SCHEMBL1720132

SCHEMBL1720132

Cn1c(-c2ccc(OC(F)(F)F)cc2)nc(-c2cncnc2)c1C(=O)N1CCC(C2CCCN2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 3/20 0.42
L3MBTL3 Q96JM7 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
HTR2B P41595 1/20 0.37
HTR2C P28335 1/20 0.37
TP53 P04637 1/20 0.36
PIK3CD O00329 1/20 0.36
EPHX2 P34913 5/20 0.36
ABL1 P00519 5/20 0.36
MAPK7 Q13164 3/20 0.36
KCNH2 Q12809 2/20 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
SCHEMBL1720233 0.84 MCHR1 (0.39) MBTD1L3MBTL3L3MBTL1HTR2BTP53
SCHEMBL1719055 0.75 CYP2D6 (0.40) L3MBTL3L3MBTL1MAPK7
SCHEMBL1719839 0.75 EPHX2 (0.42) MBTD1L3MBTL3L3MBTL1HTR2BTP53
SCHEMBL1719458 0.74 L3MBTL3 (0.39) MBTD1L3MBTL3L3MBTL1HTR2BPIK3CD
SCHEMBL1719474 0.74 HRH3 (0.41) MBTD1L3MBTL3L3MBTL1
SCHEMBL1719834 0.71 MAP3K7 (0.38) MAPK7
SCHEMBL1719253 0.71 MAP3K7 (0.38) MAPK7
SCHEMBL1720468 0.71 MAP3K7 (0.38) MAPK7
SCHEMBL1719716 0.70 EPHX2 (0.37) HTR2BPIK3CDEPHX2ABL1MAPK7
SCHEMBL1719718 0.70 EPHX2 (0.37) HTR2BPIK3CDEPHX2ABL1MAPK7

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-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP claimed