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SCHEMBL30801776

SCHEMBL30801776

O=C1[C@H]2CNCCN2CCN1c1cc(-c2cccc(OC(F)(F)F)c2)no1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ PRKDC P78527 1/20 0.37
▸ SLC5A1 P13866 11/20 0.37
▸ PLAT P00750 2/20 0.37
▸ GRM5 P41594 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
SCHEMBL30801850 0.88 USP30 (0.39) USP30HTR2AHTR2CHTR2BGRM5
SCHEMBL30801750 0.86 PARP1 (0.39) XDHUSP30PLATGRM5
SCHEMBL30801744 0.84 NPC1 (0.38) USP30HTR2AHTR2CHTR2BPLAT
SCHEMBL30801805 0.83 CRHBP (0.43) USP30HTR2CPLATGRM5
SCHEMBL30801830 0.83 CRHBP (0.43) USP30HTR2CPLATGRM5
SCHEMBL23574047 0.82 USP30 (0.53) XDHUSP30PRKDC
SCHEMBL30986840 0.82 USP30 (0.53) XDHUSP30PRKDC
SCHEMBL23574049 0.82 USP30 (0.53) XDHUSP30PRKDC
SCHEMBL30801748 0.81 USP30 (0.39) XDHUSP30HTR2CHTR2BPRKDC
SCHEMBL30801848 0.81 USP30 (0.39) XDHUSP30HTR2CHTR2BPRKDC

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
EP-3793997-B1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS INC (US) 2024-03-13 — — EP claimed