SCHEMBL4056100

SCHEMBL4056100

O=C(O)N1CCC(CNc2cnc(-c3ccc(C(=O)N4CCOC(CO)C4)cc3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 2/20 0.44
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
ATR Q13535 4/20 0.42
HCAR3 P49019 1/20 0.39
PIK3CA P42336 1/20 0.38
ROCK2 O75116 1/20 0.38
ABL1 P00519 1/20 0.38
PIM1 P11309 1/20 0.36
TNK2 Q07912 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
GRIN2B Q13224 1/20 0.36
VNN1 O95497 1/20 0.36
JAK2 O60674 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4373471 0.85 ATR (0.50) TPH1ALOX5APFEN1ATRPIM1
SCHEMBL4371541 0.85 TPH1 (0.48) TPH1ATRPIM1CYP3A4CYP2D6
SCHEMBL4056867 0.84 ALOX5AP (0.42) ALOX5APFEN1ATRPIK3CAROCK2
SCHEMBL4057216 0.81 IKBKB (0.48) TPH1ATRROCK2VNN1
SCHEMBL4370900 0.81 IKBKB (0.48) TPH1ATRROCK2VNN1
SCHEMBL4050033 0.81 TPH1 (0.53) TPH1ATRPIM1CYP3A4CYP2D6
SCHEMBL3982420 0.81 GPR119 (0.54) ALOX5APFEN1
SCHEMBL4234932 0.80 TPH1 (0.49) TPH1ATRPIM1CYP3A4CYP2D6
SCHEMBL4379368 0.79 TPH1 (0.44) TPH1ATRPIM1CYP3A4CYP2D6
SCHEMBL4053316 0.79 ATR (0.41) ALOX5APFEN1ATRVNN1

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