SCHEMBL13996482

SCHEMBL13996482

CCNc1ccc(O[C@H]2CCOC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.40
▸ F2 P00734 3/20 0.40
▸ F10 P00742 3/20 0.40
▸ PRSS1 P07477 3/20 0.40
▸ PRSS2 P07478 3/20 0.40
▸ F7 P08709 3/20 0.40
▸ F3 P13726 3/20 0.40
▸ PRSS3 P35030 3/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ PDE4D Q08499 6/20 0.38
▸ PDE4A P27815 4/20 0.38
▸ PDE4B Q07343 4/20 0.38
▸ PDE4C Q08493 4/20 0.38
▸ DDX3X O00571 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL13113647 0.83 ACACB (0.42) ACACBF2F10PRSS1PRSS2
SCHEMBL21600868 0.82 HRH3 (0.43) —
SCHEMBL13994031 0.82 ACACB (0.40) ACACBF2F10PRSS1PRSS2
SCHEMBL13996516 0.80 F2 (0.38) ACACBF2F10PRSS1PRSS2
SCHEMBL13185109 0.80 ACACB (0.43) ACACBPDE4DPDE4APDE4BPDE4C
SCHEMBL11936040 0.79 HRH3 (0.44) ACACB
SCHEMBL11935846 0.78 IRAK4 (0.38) ACACBF2F10PRSS1PRSS2
SCHEMBL13439257 0.78 KDM4E (0.38) ACACBF2F10PRSS1PRSS2
SCHEMBL11935514 0.78 KDM4E (0.38) ACACBF2F10PRSS1PRSS2
SCHEMBL21443397 0.77 LRRK2 (0.43) ACACB

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
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
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