SCHEMBL29630796

SCHEMBL29630796

CN1CC(CC(=O)NC2CC3(C2)CC(c2nc4cc(Cl)ccc4o2)C3)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.40
▸ PTGES O14684 10/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ HTR2A P28223 3/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL25392826 1.00 USP30 (0.40) USP30PTGESPTGS2HTR2ADRD3
SCHEMBL24473884 0.89 PTGES (0.44) USP30PTGESPTGS2HTR2ADRD3
SCHEMBL29630781 0.85 PTGES (0.45) PTGESPTGS2P2RX7
SCHEMBL29630766 0.85 PTGES (0.45) PTGESPTGS2P2RX7
SCHEMBL26225814 0.85 PTGES (0.45) PTGESPTGS2P2RX7
SCHEMBL26225819 0.85 PTGES (0.45) PTGESPTGS2P2RX7
SCHEMBL29630708 0.85 PTGES (0.45) PTGESPTGS2P2RX7
SCHEMBL26225667 0.85 PTGES (0.45) PTGESPTGS2P2RX7
SCHEMBL25390794 0.84 USP30 (0.41) USP30PTGESPTGS2TP53
SCHEMBL29630841 0.84 USP30 (0.41) USP30PTGESPTGS2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251623-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 — — EP claimed
WO-2022112140-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 — — WO claimed
EP-4251623-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 — — EP disclosed
WO-2022112140-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 — — WO disclosed
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