SCHEMBL29158603

SCHEMBL29158603

COC[C@H]1CC(NC(=O)c2nnc(-c3cc(C#N)ccc3OC)o2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.36
▸ KDM4D Q6B0I6 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ AR P10275 1/20 0.34
▸ UGCG Q16739 1/20 0.34
▸ GPR6 P46095 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL29158599 1.00 CTSS (0.36) CTSSCTSKGPR119KDM4DNSD2
SCHEMBL23085662 1.00 CTSS (0.36) CTSSCTSKGPR119KDM4DNSD2
SCHEMBL30798694 1.00 CTSS (0.36) CTSSCTSKGPR119KDM4DNSD2
SCHEMBL29546545 0.91 CETP (0.35) GPR119EGLN2CETPARUGCG
SCHEMBL24370924 0.91 CETP (0.35) GPR119EGLN2CETPARUGCG
SCHEMBL23085845 0.90 LRRK2 (0.37) CTSSCTSKGPR119KDM4DNSD2
SCHEMBL29158564 0.90 LRRK2 (0.37) CTSSCTSKGPR119KDM4DNSD2
SCHEMBL29158567 0.90 LRRK2 (0.37) CTSSCTSKGPR119KDM4DNSD2
SCHEMBL29470224 0.90 LRRK2 (0.37) CTSSCTSKGPR119KDM4DNSD2
SCHEMBL23069404 0.90 LRRK2 (0.36) UGCGGPR6TLR9TLR8TLR7

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
CN-114341133-B Substituted cyanopyrrolidines having USP30 inhibitor activity 特殊治疗有限公司 2024-02-27 — — CN disclosed
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