SCHEMBL31052914

SCHEMBL31052914

Cc1nccnc1N[C@@H](CCC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 4/20 0.43
▸ SORT1 Q99523 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PYGL P06737 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PRNP P04156 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ RIPK1 Q13546 1/20 0.31
▸ SSTR4 P31391 1/20 0.30
▸ C3AR1 Q16581 1/20 0.30
▸ ITGB1 P05556 1/20 0.30
▸ ITGA4 P13612 1/20 0.30

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
SCHEMBL31052801 0.78 GRN (0.46) GRNSORT1PYGLCYP2C9SMN1; SMN2
SCHEMBL31052861 0.76 GRN (0.42) GRNSORT1ALDH1A1SMN1; SMN2
SCHEMBL31052857 0.75 PSMB5 (0.39) GRNSORT1ALDH1A1SMN1; SMN2
SCHEMBL31052896 0.74 SORT1 (0.40) GRNSORT1PYGLCYP2C9RIPK1
SCHEMBL31052871 0.74 GRN (0.45) GRNSORT1HPGDSMN1; SMN2RIPK1
SCHEMBL31052773 0.73 GRN (0.46) GRNSORT1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL31052763 0.73 GRN (0.42) GRNSORT1ALDH1A1HPGDPYGL
SCHEMBL31052825 0.72 SORT1 (0.44) GRNSORT1ALDH1A1HPGDPYGL
SCHEMBL31052824 0.71 GRN (0.48) GRNSORT1ALDH1A1HPGDPYGL
SCHEMBL31052820 0.71 GRN (0.45) GRNSORT1ALDH1A1HPGDPYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676914-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2026-01-14 — — EP claimed
WO-2024184469-A1 MODULATORS OF SORTILIN ACTIVITY VESPER BIO APS (DK) 2024-09-12 — — WO claimed
EP-4428121-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2024-09-11 — — EP claimed
EP-4676914-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2026-01-14 — — EP disclosed
WO-2024184469-A1 MODULATORS OF SORTILIN ACTIVITY VESPER BIO APS (DK) 2024-09-12 — — WO disclosed
EP-4428121-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2024-09-11 — — EP disclosed
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