SCHEMBL31184347

SCHEMBL31184347

CC1(C)OB(c2cccnc2C(F)F)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 3/20 0.34
▸ LIPG Q9Y5X9 3/20 0.34
▸ LIPE Q05469 4/20 0.32
▸ CXCR2 P25025 1/20 0.30
▸ AAK1 Q2M2I8 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ BTK Q06187 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
SCHEMBL17841555 1.00 LPL (0.34) LPLLIPGLIPECXCR2AAK1
SCHEMBL18865597 0.87 LPL (0.36) LPLLIPGLIPE
SCHEMBL29691149 0.87 LPL (0.36) LPLLIPGLIPE
SCHEMBL23295301 0.80 LPL (0.32) LPLLIPGLIPE
SCHEMBL29412362 0.80 LPL (0.32) LPLLIPGLIPE
SCHEMBL23295300 0.80 LPL (0.32) LPLLIPGLIPE
SCHEMBL31467992 0.80 LPL (0.32) LPLLIPGLIPE
SCHEMBL31046590 0.78 LPL (0.40) LPLLIPGLIPECXCR2JAK2
SCHEMBL2813914 0.78 LPL (0.40) LPLLIPGLIPECXCR2JAK2
SCHEMBL18059686 0.77 TRPV4 (0.46) LPLLIPGLIPEAAK1

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
WO-2024220641-A1 1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 USEFUL FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2024-10-24 — — WO disclosed
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