SCHEMBL3260869

SCHEMBL3260869

CC1(C)OB(c2ccc(CN3CCC(F)CC3)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.49
LIPG Q9Y5X9 7/20 0.49
F11 P03951 1/20 0.43
HRH3 Q9Y5N1 6/20 0.43
LTA4H P09960 1/20 0.42
ESR2 Q92731 1/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL3263222 0.92 LPL (0.47) LPLLIPGF11HRH3LTA4H
SCHEMBL3263221 0.92 LPL (0.47) LPLLIPGF11HRH3LTA4H
SCHEMBL3264388 0.92 LPL (0.47) LPLLIPGF11HRH3LTA4H
SCHEMBL18580899 0.90 LPL (0.48) LPLLIPGF11HRH3LTA4H
SCHEMBL21755926 0.89 HRH3 (0.58) LPLLIPGF11HRH3LTA4H
SCHEMBL18579804 0.87 ALDH1A1 (0.49) LPLLIPGF11HRH3LTA4H
SCHEMBL21055138 0.87 LPL (0.50) LPLLIPGF11HRH3ESR2
SCHEMBL1428042 0.87 LPL (0.44) LPLLIPGF11HRH3LTA4H
SCHEMBL3261155 0.85 HRH3 (0.44) LPLLIPGF11HRH3LTA4H
SCHEMBL146568 0.85 HRH3 (0.56) LPLLIPGF11HRH3ESR2

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-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed