SCHEMBL28840447

SCHEMBL28840447

C[C@@H](COc1cc(C(=O)NC2(C#N)CC2)c(Cl)cc1F)NS(=O)(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.38
CTSL P07711 10/20 0.36
CTSS P25774 9/20 0.36
CTSK P43235 8/20 0.36
CTSB P07858 4/20 0.35
SCN9A Q15858 2/20 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
SCHEMBL28840448 1.00 LRRK2 (0.38) LRRK2CTSLCTSSCTSKCTSB
SCHEMBL28840402 0.82 NPC1 (0.37) SCN9A
SCHEMBL27352983 0.81 CTSS (0.33) LRRK2CTSLCTSSCTSKCTSB
SCHEMBL30995619 0.81 CTSS (0.33) LRRK2CTSLCTSSCTSKCTSB
SCHEMBL27352992 0.81 CTSS (0.33) LRRK2CTSLCTSSCTSKCTSB
SCHEMBL28840409 0.81 ATM (0.39) SCN9A
SCHEMBL28840400 0.81 ATM (0.39) SCN9A
SCHEMBL28840433 0.81 HPGD (0.50) SCN9A
SCHEMBL28840502 0.81 HPGD (0.50) SCN9A
SCHEMBL30638617 0.81 LRRK2 (0.37) LRRK2CTSLCTSSCTSKCTSB

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-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed