SCHEMBL28605632

SCHEMBL28605632

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 10/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ NOTUM Q6P988 1/20 0.39
▸ FPR2 P25090 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ SMURF1 Q9HCE7 1/20 0.38
▸ LPL P06858 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ ACACB O00763 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
SCHEMBL28605634 1.00 FFAR4 (0.44) FFAR4DRD3NOTUMFPR2SCN9A
SCHEMBL28918772 0.85 FFAR4 (0.42) FFAR4DRD3SMURF1LPLLIPG
SCHEMBL28601654 0.84 LMNA (0.46) LPLLIPG
SCHEMBL28601649 0.84 LMNA (0.46) LPLLIPG
SCHEMBL22186372 0.80 PIM1 (0.47) FFAR4DRD3NOTUM
Hydrochloric Acid SCHEMBL28596260 0.79 PIM1 (0.46) FFAR4DRD3
Hydrochloric Acid SCHEMBL28596259 0.79 PIM1 (0.46) FFAR4DRD3
SCHEMBL28601507 0.77 LIPG (0.52) LPLLIPG
SCHEMBL28601509 0.77 LIPG (0.52) LPLLIPG
SCHEMBL28918773 0.74 BTK (0.49) 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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