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SCHEMBL3378101

SCHEMBL3378101

COC(=O)C1CN(C(=O)O)CC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.48
▸ SLC6A2 P23975 5/20 0.45
▸ SLC6A4 P31645 4/20 0.45
▸ SLC6A3 Q01959 4/20 0.45
▸ TACR1 P25103 1/20 0.44
▸ PDE4A P27815 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ RORC P51449 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
SCHEMBL13364964 0.85 PDE4B (0.67) PDE4BSLC6A2TACR1PDE4APDE4C
SCHEMBL20475191 0.83 PDE4B (0.51) PDE4BSLC6A2SLC6A4SLC6A3PDE4A
SCHEMBL20475190 0.83 SLC6A4 (0.49) PDE4BSLC6A2SLC6A4SLC6A3
SCHEMBL14920696 0.83 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL1797122 0.79 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL15091848 0.79 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL7083440 0.79 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3
SCHEMBL7083443 0.79 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3
SCHEMBL13364970 0.75 RORC (0.63) PDE4BTACR1RORC
SCHEMBL13365041 0.75 RORC (0.63) PDE4BTACR1RORC

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-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 — — WO disclosed