SCHEMBL30370285

SCHEMBL30370285

COC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C(F)(F)F)ccc3OC)o2)CN1C#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LCLAT1 Q6UWP7 2/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ ADORA2B P29275 3/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ TLR9 Q9NR96 2/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ CTSA P10619 1/20 0.34
▸ CETP P11597 2/20 0.34
▸ ABCG2 Q9UNQ0 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
SCHEMBL24073663 1.00 LCLAT1 (0.34) LCLAT1ACKR3KCNH2ADORA2AADORA2B
SCHEMBL30370549 1.00 LCLAT1 (0.34) LCLAT1ACKR3KCNH2ADORA2AADORA2B
SCHEMBL24072856 1.00 LCLAT1 (0.34) LCLAT1ACKR3KCNH2ADORA2AADORA2B
SCHEMBL24072842 0.92 GPR6 (0.36) ACKR3KCNH2TLR9TLR8TLR7
SCHEMBL25839011 0.92 GPR6 (0.36) ACKR3KCNH2TLR9TLR8TLR7
SCHEMBL24073582 0.92 GPR6 (0.36) ACKR3KCNH2TLR9TLR8TLR7
SCHEMBL24072843 0.92 GPR6 (0.36) ACKR3KCNH2TLR9TLR8TLR7
SCHEMBL24073580 0.91 AGPAT2 (0.38) —
SCHEMBL24072840 0.91 AGPAT2 (0.38) —
SCHEMBL31017677 0.91 AGPAT2 (0.38) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157834-A1 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 Limited (GB) 2023-04-05 — — EP claimed
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
EP-4157834-A1 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 Limited (GB) 2023-04-05 — — EP disclosed
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