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SCHEMBL3263221

SCHEMBL3263221

CC1(C)OB(c2ccc(CN3CC[C@@H](F)C3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 7/20 0.47
▸ LIPG Q9Y5X9 7/20 0.47
▸ LTA4H P09960 2/20 0.44
▸ HRH3 Q9Y5N1 4/20 0.44
▸ F11 P03951 2/20 0.42
▸ ESR2 Q92731 1/20 0.39
▸ F2 P00734 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36

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 1.00 LPL (0.47) LPLLIPGLTA4HHRH3F11
SCHEMBL3264388 1.00 LPL (0.47) LPLLIPGLTA4HHRH3F11
SCHEMBL3261155 0.94 HRH3 (0.44) LPLLIPGLTA4HHRH3F11
SCHEMBL3260869 0.92 LPL (0.49) LPLLIPGLTA4HHRH3F11
SCHEMBL21055138 0.90 LPL (0.50) LPLLIPGHRH3F11ESR2
SCHEMBL18580257 0.88 LPL (0.46) LPLLIPGLTA4HHRH3F11
SCHEMBL3262791 0.85 ALDH1A1 (0.46) LPLLIPGLTA4HF11ESR2
SCHEMBL3261633 0.85 ALDH1A1 (0.46) LPLLIPGLTA4HF11ESR2
SCHEMBL3261628 0.85 ALDH1A1 (0.46) LPLLIPGLTA4HF11ESR2
SCHEMBL18580899 0.85 LPL (0.48) LPLLIPGLTA4HHRH3F11

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-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 — — WO disclosed