SCHEMBL29546545

SCHEMBL29546545

COC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C#N)ccc3Br)o2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ GPR119 Q8TDV5 7/20 0.35
▸ AR P10275 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ UGCG Q16739 1/20 0.32

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
SCHEMBL24370924 1.00 CETP (0.35) CETPEGLN2GPR119ARIRAK4
SCHEMBL29158603 0.91 CTSS (0.36) CETPEGLN2GPR119ARIRAK4
SCHEMBL29158599 0.91 CTSS (0.36) CETPEGLN2GPR119ARIRAK4
SCHEMBL23085662 0.91 CTSS (0.36) CETPEGLN2GPR119ARIRAK4
SCHEMBL30798694 0.91 CTSS (0.36) CETPEGLN2GPR119ARIRAK4
SCHEMBL24370934 0.89 EGLN2 (0.36) CETPEGLN2GPR119ARIRAK4
SCHEMBL24370930 0.89 IRAK4 (0.35) CETPEGLN2GPR119ARIRAK4
SCHEMBL23085670 0.86 USP30 (0.39) CETPEGLN2GPR119ARUSP30
SCHEMBL29158595 0.86 USP30 (0.39) CETPEGLN2GPR119ARUSP30
SCHEMBL29770996 0.86 USP30 (0.39) CETPEGLN2GPR119ARUSP30

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
WO-2022084479-A1 N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2022-04-28 — — WO disclosed
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