SCHEMBL28803147

SCHEMBL28803147

CC(C)(C)NC(=O)O[C@@H](Cc1ccccc1)C(=O)NCc1cccc(Cl)c1F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.40
▸ CFD P00746 3/20 0.39
▸ P2RX7 Q99572 4/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ PSMB5 P28074 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
SCHEMBL28803174 0.86 P2RX7 (0.39) ALDH1A1CFDP2RX7KLKB1PSMB5
SCHEMBL28803397 0.85 CFD (0.46) ALDH1A1CFDP2RX7PSMB5
SCHEMBL28803327 0.85 TSHR (0.41) ALDH1A1CFDP2RX7
SCHEMBL28803369 0.84 CFD (0.44) ALDH1A1CFDP2RX7
SCHEMBL28803370 0.84 CFD (0.44) ALDH1A1CFDP2RX7
SCHEMBL28803344 0.84 TSHR (0.41) ALDH1A1CFDP2RX7KLKB1
SCHEMBL19236869 0.78 CTSS (0.61) SCN9A
SCHEMBL29781555 0.78 CTSS (0.61) SCN9A
SCHEMBL28803148 0.78 CTSS (0.61) SCN9A
SCHEMBL29358860 0.78 CTSS (0.61) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490751-A Factor D inhibitors 拜奥克里斯特制药公司 2022-12-20 — — CN disclosed
CN-109121414-B Benzopyrazole compounds and analogs thereof 拜奥克里斯特制药公司 2022-07-05 — — CN disclosed
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