SCHEMBL30219104

SCHEMBL30219104

CC(C)(C)CC[C@H](N[C@@H](c1ccccc1)C(F)F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.46
▸ GRN P28799 3/20 0.42
▸ SORT1 Q99523 3/20 0.42
▸ PYGL P06737 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MMP1 P03956 2/20 0.36
▸ MMP3 P08254 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ KEAP1 Q14145 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ PRCP P42785 1/20 0.35

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
SCHEMBL30219068 1.00 RIPK1 (0.46) RIPK1GRNSORT1PYGLCYP2C9
SCHEMBL29213449 0.84 MTNR1A (0.44) GRNSORT1CYP2C9
SCHEMBL29213492 0.84 MTNR1A (0.44) GRNSORT1CYP2C9
SCHEMBL29213263 0.84 MTNR1A (0.44) GRNSORT1CYP2C9
SCHEMBL29213259 0.84 MTNR1A (0.44) GRNSORT1CYP2C9
SCHEMBL29213261 0.84 MTNR1A (0.44) GRNSORT1CYP2C9
SCHEMBL30903302 0.82 RIPK1 (0.51) RIPK1GRNSORT1PYGLCYP2C9
SCHEMBL30219101 0.82 CTSL (0.50) RIPK1GRNSORT1
SCHEMBL30219112 0.82 CTSL (0.50) RIPK1GRNSORT1
Hydrochloric Acid SCHEMBL30168116 0.81 RIPK1 (0.50) RIPK1GRNSORT1PYGLCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4395776-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM Insusense ApS (DK) 2024-07-10 — — EP claimed
WO-2023031440-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM INSUSENSE ApS (DK) 2023-03-09 — — WO claimed
EP-4395776-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM Insusense ApS (DK) 2024-07-10 — — EP disclosed
WO-2023031440-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM INSUSENSE ApS (DK) 2023-03-09 — — WO disclosed
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