SCHEMBL12470367

SCHEMBL12470367

Cc1c(Br)ccc(-n2cc(C(F)(F)F)cn2)c1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.36
GCG P01275 1/20 0.34
GCGR P47871 1/20 0.34
EPHX2 P34913 1/20 0.33
SLC34A1 Q06495 2/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PDE10A Q9Y233 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30

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
SCHEMBL28851926 0.81 EPHX2 (0.39) MBOAT4CYP46A1GCGGCGREPHX2
SCHEMBL17666286 0.79 RXRA (0.38) MBOAT4CYP46A1GCGGCGREPHX2
SCHEMBL16983155 0.76 NOTUM (0.39) CYP46A1EPHX2SLC34A1RXRAGRIN1
SCHEMBL29819715 0.74 L3MBTL1 (0.44) MBOAT4CYP46A1EPHX2RXRAGRIN1
SCHEMBL16753675 0.74 L3MBTL1 (0.44) MBOAT4CYP46A1EPHX2RXRAGRIN1
SCHEMBL17666300 0.73 GCG (0.40) CYP46A1GCGGCGREPHX2PDE10A
SCHEMBL16983105 0.71 GCG (0.39) CYP46A1GCGGCGREPHX2RXRA
SCHEMBL11900303 0.71 EPHX2 (0.44) CYP46A1GCGGCGREPHX2ABL1
SCHEMBL25843587 0.70 HTR2A (0.36) MBOAT4GCGGCGRPDE10AABL1
SCHEMBL11899948 0.69 GCG (0.46) GCGGCGRRXRAGRIN1GRIN2B

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-2673260-A1 GLUCAGON RECEPTOR MODULATOR Pfizer Inc (US) 2013-12-18 EP disclosed
WO-2012107850-A1 GLUCAGON RECEPTOR MODULATOR PFIZER INC. (US) 2012-08-16 WO disclosed