SCHEMBL4563267

SCHEMBL4563267

CCCC(=O)c1ccc2c(c1)CCNC2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
ASIC3 Q9UHC3 1/20 0.45
MCHR1 Q99705 3/20 0.44
ACHE P22303 1/20 0.44
HSD17B3 P37058 1/20 0.44
PLAU P00749 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42

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
SCHEMBL4065635 0.91 MCHR1 (0.51) HPGDMCHR1ACHEHSD17B3DRD2
SCHEMBL12896004 0.83 ASIC3 (0.49) ASIC3PLAUDRD2DRD3F2
SCHEMBL3297638 0.82 MELK (0.49)
Hydrochloric Acid SCHEMBL3291961 0.81 MELK (0.48)
SCHEMBL1013707 0.80 NPC1 (0.53) ASIC3PLAUDRD2DRD3F2
Hydrochloric Acid SCHEMBL3118453 0.78 NPC1 (0.51) ASIC3PLAUDRD2DRD3F2
SCHEMBL31532288 0.78 CA12 (0.49)
SCHEMBL1019877 0.78 CA12 (0.49)
SCHEMBL1026101 0.78 ALDH1A1 (0.59) ASIC3PLAUDRD2DRD3F2
SCHEMBL30428318 0.78 ALDH1A1 (0.59) ASIC3PLAUDRD2DRD3F2

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-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO disclosed