SCHEMBL28918772

SCHEMBL28918772

CC(C)(C)NC(=O)O[C@@H]1CCCN(c2ccc(OC(F)(F)F)cc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 9/20 0.42
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ SMURF1 Q9HCE7 1/20 0.39
▸ ACACB O00763 4/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ LPL P06858 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL28605702 0.86 GPR119 (0.45) LPLLIPG
SCHEMBL28605632 0.85 FFAR4 (0.44) FFAR4DRD3EPHX2SMURF1ACACB
SCHEMBL28605634 0.85 FFAR4 (0.44) FFAR4DRD3EPHX2SMURF1ACACB
SCHEMBL28595539 0.80 LIPG (0.49) ACACBLPLLIPG
SCHEMBL28918776 0.78 BTK (0.49) FFAR4DRD3
SCHEMBL28918773 0.78 BTK (0.49) FFAR4DRD3
SCHEMBL28614161 0.76 ACACB (0.45) ACACB
SCHEMBL4444630 0.75 LMNA (0.64) —
SCHEMBL28605624 0.74 SMN1; SMN2 (0.53) —
SCHEMBL22186372 0.74 PIM1 (0.47) FFAR4DRD3

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
CN-113164461-A Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2021-07-23 — — CN disclosed
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