SCHEMBL4284699

SCHEMBL4284699

CC(C)(C)OC(=O)CCC1Cc2cc(C#N)ccc2N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.41
FNTB P49356 5/20 0.41
DRD2 P14416 2/20 0.40
ABCB1 P08183 2/20 0.37
GPR119 Q8TDV5 5/20 0.35
NR1H2 P55055 1/20 0.33
NAMPT P43490 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GPER1 Q99527 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL4283330 0.84 RBP4 (0.35) BRD4
SCHEMBL4285459 0.81 NOTUM (0.42)
SCHEMBL4563464 0.78 HDAC1 (0.33)
SCHEMBL4284878 0.73 NOTUM (0.49) DRD2GPR119
SCHEMBL13656838 0.71 GPR119 (0.41) FNTAFNTBDRD2GPR119NR1H2
SCHEMBL4431917 0.70 S1PR1 (0.53)
SCHEMBL4427175 0.70 S1PR1 (0.44)
SCHEMBL773073 0.67 DRD2 (0.64) DRD2
SCHEMBL13656966 0.66 GPR119 (0.47) DRD2GPR119BRD4
SCHEMBL19329123 0.66 DRD2 (0.48) DRD2GPR119NR1H2NAMPT

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-2009151626-A1 SUBSTITUTED (1, 2, 4-0XADIAZ0L-3-YL) INDOLIN-1-YL CARBOXYLIC ACID DERIVATIVES USEFUL AS S1P1 AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed