SCHEMBL31017694

SCHEMBL31017694

C[C@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C(F)(F)F)ccc3OC3CC3)o2)CN1C#N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CTSC P53634 1/20 0.37
▸ ACKR3 P25106 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ GPR6 P46095 3/20 0.35
▸ F2R P25116 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL24073571 1.00 CTSL (0.37) CTSLCTSSCTSKCTSCACKR3
SCHEMBL24073572 1.00 CTSL (0.37) CTSLCTSSCTSKCTSCACKR3
SCHEMBL24073255 1.00 CTSL (0.37) CTSLCTSSCTSKCTSCACKR3
SCHEMBL24073582 0.90 GPR6 (0.36) ACKR3KCNH2USP30GPR6TLR9
SCHEMBL25839011 0.90 GPR6 (0.36) ACKR3KCNH2USP30GPR6TLR9
SCHEMBL24072843 0.90 GPR6 (0.36) ACKR3KCNH2USP30GPR6TLR9
SCHEMBL24072842 0.90 GPR6 (0.36) ACKR3KCNH2USP30GPR6TLR9
SCHEMBL25261516 0.89 F2R (0.36) ACKR3KCNH2GPR6F2RMEN1
SCHEMBL25837888 0.88 CTSK (0.39) CTSLCTSSCTSKCTSCACKR3
SCHEMBL24073256 0.86 JAK2 (0.35) ACKR3KCNH2GPR6F2R

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
EP-4157834-B1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION MISSION THERAPEUTICS LTD (GB) 2024-07-03 — — EP disclosed
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