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Sugi Predict / Compounds / SCHEMBL3346567

SCHEMBL3346567

SCHEMBL3346567

C[C@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cn1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.59
▸ ACACB O00763 4/20 0.43
▸ PDE2A O00408 5/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PRCP P42785 2/20 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
SCHEMBL13365135 0.91 KCNH2 (0.57) KCNH2ACACBPDE2A
SCHEMBL3346572 0.89 KCNH2 (0.51) KCNH2ACACBPDE2AMAPK1
SCHEMBL3350882 0.86 KCNH2 (0.46) KCNH2MAPK1KMT2APRCP
SCHEMBL3346217 0.85 KCNH2 (0.51) KCNH2ACACBPDE2A
SCHEMBL3346554 0.85 KCNH2 (0.48) KCNH2ACACBPDE2A
SCHEMBL3346383 0.84 KCNH2 (0.50) KCNH2ACACBPDE2AMAPK1
SCHEMBL3350854 0.83 KCNH2 (0.49) KCNH2MAPK1KMT2A
SCHEMBL3346452 0.83 KCNH2 (0.48) KCNH2ACACBPDE2AMAPK1KMT2A
SCHEMBL3353119 0.81 KCNH2 (0.47) KCNH2ACACBPDE2A
SCHEMBL3415190 0.80 KCNH2 (0.59) KCNH2ACACBKCNK3PRCP

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