SCHEMBL28803397

SCHEMBL28803397

CC(C)(C)NC(=O)O[C@@H](CC1CC1)C(=O)NCc1cccc(Cl)c1F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 9/20 0.46
▸ P2RX7 Q99572 5/20 0.45
▸ ALDH1A1 P00352 1/20 0.38
▸ PTGES O14684 2/20 0.37
▸ PSMB5 P28074 1/20 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
SCHEMBL28803174 0.87 P2RX7 (0.39) CFDP2RX7ALDH1A1PTGESPSMB5
SCHEMBL28946690 0.85 CFD (0.53) CFDP2RX7
SCHEMBL28946688 0.85 CFD (0.53) CFDP2RX7
SCHEMBL28803147 0.85 SCN9A (0.48) CFDP2RX7ALDH1A1PSMB5
SCHEMBL28803344 0.85 TSHR (0.41) CFDP2RX7ALDH1A1PTGES
SCHEMBL28803327 0.82 TSHR (0.41) CFDP2RX7ALDH1A1
SCHEMBL28803399 0.81 CTSS (0.54) CFDP2RX7
SCHEMBL19234072 0.81 CTSS (0.54) CFDP2RX7
SCHEMBL29781719 0.81 CTSS (0.54) CFDP2RX7
SCHEMBL19208351 0.77 CFD (0.52) CFDP2RX7ALDH1A1

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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