SCHEMBL4048867

SCHEMBL4048867

O=C(O)N1CCC(COc2cnc(-c3ccc(C(=O)N4CCC[C@H]4CO)cc3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.44
SPHK1 Q9NYA1 3/20 0.42
ROCK2 O75116 1/20 0.42
GABRA5 P31644 2/20 0.41
CNR2 P34972 1/20 0.40
ATR Q13535 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CSF1R P07333 1/20 0.39
VNN1 O95497 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL4049899 1.00 SPHK2 (0.44) SPHK2SPHK1ROCK2GABRA5CNR2
SCHEMBL13690754 0.88 GPR119 (0.55) SPHK2SPHK1ROCK2GPR119
SCHEMBL13690495 0.88 GPR119 (0.55) SPHK2SPHK1ROCK2GPR119
SCHEMBL4460046 0.84 SPHK2 (0.46) SPHK2SPHK1ROCK2CNR2POLB
SCHEMBL16803765 0.84 ROCK2 (0.40) SPHK2SPHK1ROCK2GABRA5CNR2
SCHEMBL4370900 0.83 IKBKB (0.48) SPHK2SPHK1ROCK2ATRHRH3
SCHEMBL4057216 0.83 IKBKB (0.48) SPHK2SPHK1ROCK2ATRHRH3
SCHEMBL4388608 0.82 ATR (0.42) GABRA5ATRGPR119HRH3
SCHEMBL15538334 0.82 SPHK2 (0.41) SPHK2SPHK1ROCK2GABRA5CNR2
SCHEMBL16777185 0.82 SPHK2 (0.41) SPHK2SPHK1ROCK2GABRA5CNR2

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