SCHEMBL4050577

SCHEMBL4050577

CCCNC(=O)c1ccc(-c2cnc(CN(C)C3CCN(C(=O)C(CC)CC)CC3)cn2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.39
GPR119 Q8TDV5 3/20 0.38
ATR Q13535 7/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MAPK1 P28482 3/20 0.34
CHRM4 P08173 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34

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
SCHEMBL4055733 0.91 IKBKB (0.41) IKBKBGPR119ATRMAPK1CHRM4
SCHEMBL4376355 0.88 ATR (0.39) GPR119ATRALOX5APFEN1MAPK1
SCHEMBL4049265 0.88 GPR119 (0.52) IKBKBGPR119MAPK1
SCHEMBL4543839 0.85 GPR119 (0.41) IKBKBGPR119ATRMAPK1CHRM4
SCHEMBL13690518 0.84 HTR1A (0.38) IKBKBATR
SCHEMBL4047813 0.80 GPR119 (0.52) GPR119MAPK1
SCHEMBL13690517 0.78 MCHR1 (0.40) GPR119ATR
SCHEMBL4373924 0.78 GPR119 (0.38) GPR119ATR
SCHEMBL4057221 0.75 GPR119 (0.53) GPR119ATR
SCHEMBL13690325 0.72 FAAH (0.33)

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
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed